N,2-dicyclohexyl-2-[2-(3-thiophen-2-ylphenyl)benzimidazol-1-yl]acetamide;hydrochloride

C31H36ClN3OS — CID 68695803

IUPACN,2-dicyclohexyl-2-[2-(3-thiophen-2-ylphenyl)benzimidazol-1-yl]acetamide;hydrochloride
SMILESCl.O=C(NC1CCCCC1)C(C1CCCCC1)n1c(-c2cccc(-c3cccs3)c2)nc2ccccc21
InChIInChI=1S/C31H35N3OS.ClH/c35-31(32-25-15-5-2-6-16-25)29(22-11-3-1-4-12-22)34-27-18-8-7-17-26(27)33-30(34)24-14-9-13-23(21-24)28-19-10-20-36-28;/h7-10,13-14,17-22,25,29H,1-6,11-12,15-16H2,(H,32,35);1H
InChIKeyOPISPWPCBZNXQK-UHFFFAOYSA-N
MW534.17 g/mol
LogP8.42
Rot. Bonds6

About N,2-dicyclohexyl-2-[2-(3-thiophen-2-ylphenyl)benzimidazol-1-yl]acetamide;hydrochloride

N,2-dicyclohexyl-2-[2-(3-thiophen-2-ylphenyl)benzimidazol-1-yl]acetamide;hydrochloride (PubChem CID 68695803) has the molecular formula C31H36ClN3OS and a molecular weight of 534.17 g/mol. Its IUPAC name is N,2-dicyclohexyl-2-[2-(3-thiophen-2-ylphenyl)benzimidazol-1-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN,2-dicyclohexyl-2-[2-(3-thiophen-2-ylphenyl)benzimidazol-1-yl]acetamide;hydrochloride
PubChem CID68695803
Molecular FormulaC31H36ClN3OS
Molecular Weight534.17 g/mol
Exact Mass533.23
IUPAC NameN,2-dicyclohexyl-2-[2-(3-thiophen-2-ylphenyl)benzimidazol-1-yl]acetamide;hydrochloride
SMILESCl.O=C(NC1CCCCC1)C(C1CCCCC1)n1c(-c2cccc(-c3cccs3)c2)nc2ccccc21
InChIInChI=1S/C31H35N3OS.ClH/c35-31(32-25-15-5-2-6-16-25)29(22-11-3-1-4-12-22)34-27-18-8-7-17-26(27)33-30(34)24-14-9-13-23(21-24)28-19-10-20-36-28;/h7-10,13-14,17-22,25,29H,1-6,11-12,15-16H2,(H,32,35);1H
InChIKeyOPISPWPCBZNXQK-UHFFFAOYSA-N
XLogP8.42
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.17
LogP ≤ 58.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,2-dicyclohexyl-2-[2-(3-thiophen-2-ylphenyl)benzimidazol-1-yl]acetamide;hydrochloride?
The IUPAC name of N,2-dicyclohexyl-2-[2-(3-thiophen-2-ylphenyl)benzimidazol-1-yl]acetamide;hydrochloride (CID 68695803) is N,2-dicyclohexyl-2-[2-(3-thiophen-2-ylphenyl)benzimidazol-1-yl]acetamide;hydrochloride.
What is the SMILES notation for N,2-dicyclohexyl-2-[2-(3-thiophen-2-ylphenyl)benzimidazol-1-yl]acetamide;hydrochloride?
The canonical SMILES for N,2-dicyclohexyl-2-[2-(3-thiophen-2-ylphenyl)benzimidazol-1-yl]acetamide;hydrochloride is Cl.O=C(NC1CCCCC1)C(C1CCCCC1)n1c(-c2cccc(-c3cccs3)c2)nc2ccccc21.
What is the InChIKey of N,2-dicyclohexyl-2-[2-(3-thiophen-2-ylphenyl)benzimidazol-1-yl]acetamide;hydrochloride?
The InChIKey is OPISPWPCBZNXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N3OS.ClH/c35-31(32-25-15-5-2-6-16-25)29(22-11-3-1-4-12-22)34-27-18-8-7-17-26(27)33-30(34)24-14-9-13-23(21-24)28-19-10-20-36-28;/h7-10,13-14,17-22,25,29H,1-6,11-12,15-16H2,(H,32,35);1H.
What are the key properties of N,2-dicyclohexyl-2-[2-(3-thiophen-2-ylphenyl)benzimidazol-1-yl]acetamide;hydrochloride?
N,2-dicyclohexyl-2-[2-(3-thiophen-2-ylphenyl)benzimidazol-1-yl]acetamide;hydrochloride has a molecular weight of 534.17 g/mol, XLogP of 8.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dicyclohexyl-2-[2-(3-thiophen-2-ylphenyl)benzimidazol-1-yl]acetamide;hydrochloride is sourced from PubChem (CID 68695803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).