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AZ194

CAT: 0127-BUP07798-05Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP07798-05Size:100 mg
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CAS Number
2241651-99-8
Purity
=98%
Smiles
COc1cc(ccc1OCc1cccc(F)c1)C(=O)N1CCC(CC1)c1nc2ccccc2n1Cc1cccc(F)c1

Chemical Information

(4-(1-(3-Fluorobenzyl)-1H-benzo[d]imidazol-2-yl)piperidin-1-yl)(4-((3-fluorobenzyl)oxy)-3-methoxyphenyl)methanone
CAS Number2241651-99-8
PubChem CID135290226
IUPAC Name[4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]-[4-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-1-yl]methanone
Molecular FormulaC34H31F2N3O3
Molecular Weight567.6
XLogP6.4
Topological Polar Surface Area56.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count42
Formal Charge0
Complexity873
SMILES
COC1=C(C=CC(=C1)C(=O)N2CCC(CC2)C3=NC4=CC=CC=C4N3CC5=CC(=CC=C5)F)OCC6=CC(=CC=C6)F
InChI
InChI=1S/C34H31F2N3O3/c1-41-32-20-26(12-13-31(32)42-22-24-7-5-9-28(36)19-24)34(40)38-16-14-25(15-17-38)33-37-29-10-2-3-11-30(29)39(33)21-23-6-4-8-27(35)18-23/h2-13,18-20,25H,14-17,21-22H2,1H3
InChIKey
HDKZBBHJFURFLF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (4-(1-(3-Fluorobenzyl)-1H-benzo[d]imidazol-2-yl)piperidin-1-yl)(4-((3-fluorobenzyl)oxy)-3-methoxyphenyl)methanone
CAS: 2241651-99-8
CID: 135290226
Formula: C34H31F2N3O3
MW: 567.6
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight567.6
XLogP36.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass567.23334818
Monoisotopic Mass567.23334818
Topological Polar Surface Area56.6 Ų
Heavy Atom Count42
Formal Charge0
Complexity873
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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