UCB-9260

CAT: 0926-QKC88853-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0926-QKC88853-02Size:25 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1515888-53-5

Smiles

CC1=CC (=C (C=C1) C) CN2C3=C (C=CC (=C3) C4=CN (N=C4) C) N=C2C (C5=CC=NC=C5) O

Molecular Formula

C26H25N5O

Molecular Weight

423.5 g/mol

Controlled

Chemical Information

[1-[(2,5-Dimethylphenyl)methyl]-6-(1-methylpyrazol-4-yl)benzimidazol-2-yl]-pyridin-4-ylmethanol

CAS Number	1515888-53-5
PubChem CID	72700327
IUPAC Name	[1-[(2,5-dimethylphenyl)methyl]-6-(1-methylpyrazol-4-yl)benzimidazol-2-yl]-pyridin-4-ylmethanol
Molecular Formula	C26H25N5O
Molecular Weight	423.5
XLogP	3.5
Topological Polar Surface Area	68.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	32
Formal Charge	0
Complexity	613

SMILES

CC1=CC(=C(C=C1)C)CN2C3=C(C=CC(=C3)C4=CN(N=C4)C)N=C2C(C5=CC=NC=C5)O

InChI

InChI=1S/C26H25N5O/c1-17-4-5-18(2)21(12-17)16-31-24-13-20(22-14-28-30(3)15-22)6-7-23(24)29-26(31)25(32)19-8-10-27-11-9-19/h4-15,25,32H,16H2,1-3H3

InChIKey

RZGFWGNCSYUEPR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1515888-53-5

CID: 72700327

Formula: C26H25N5O

MW: 423.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	423.5
XLogP3	3.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	423.20591044
Monoisotopic Mass	423.20591044
Topological Polar Surface Area	68.8 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	613
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes