CRCD2

CAT: 0127-BUP01623-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP01623-01Size:1 mg

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

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CAS Number

941185-83-7

Synonyms

2-Methyl-6- (trifluoromethyl) -1H-benzimidazole

Purity

=98%

Smiles

C(N)(=O)C=1C2=C(SC1NC(=O)C=3C=C4C(=CC3)N=CN4)CCCC2

Chemical Information

N-(3-Carbamoyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-1H-benzo[d]imidazole-6-carboxamide

CAS Number	941185-83-7
PubChem CID	22108329
IUPAC Name	N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3H-benzimidazole-5-carboxamide
Molecular Formula	C17H16N4O2S
Molecular Weight	340.4
XLogP	3
Topological Polar Surface Area	129
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	24
Formal Charge	0
Complexity	517

SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC4=C(C=C3)N=CN4)C(=O)N

InChI

InChI=1S/C17H16N4O2S/c18-15(22)14-10-3-1-2-4-13(10)24-17(14)21-16(23)9-5-6-11-12(7-9)20-8-19-11/h5-8H,1-4H2,(H2,18,22)(H,19,20)(H,21,23)

InChIKey

PBSNIERBSVCZDL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 941185-83-7

CID: 22108329

Formula: C17H16N4O2S

MW: 340.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	340.4
XLogP3	3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	340.09939694
Monoisotopic Mass	340.09939694
Topological Polar Surface Area	129 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	517
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
E1406-5mg	CRCD2