2-(4-phenylcyclohexyl)-1H-benzimidazole-4-carboxamide

C20H21N3O — CID 22718147

IUPAC2-(4-phenylcyclohexyl)-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c(C3CCC(c4ccccc4)CC3)nc12
InChIInChI=1S/C20H21N3O/c21-19(24)16-7-4-8-17-18(16)23-20(22-17)15-11-9-14(10-12-15)13-5-2-1-3-6-13/h1-8,14-15H,9-12H2,(H2,21,24)(H,22,23)
InChIKeyUHVWSYMYBBQOQM-UHFFFAOYSA-N
MW319.41 g/mol
LogP4.10
Rot. Bonds3

About 2-(4-phenylcyclohexyl)-1H-benzimidazole-4-carboxamide

2-(4-phenylcyclohexyl)-1H-benzimidazole-4-carboxamide (PubChem CID 22718147) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-(4-phenylcyclohexyl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-phenylcyclohexyl)-1H-benzimidazole-4-carboxamide
PubChem CID22718147
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name2-(4-phenylcyclohexyl)-1H-benzimidazole-4-carboxamide
SMILESNC(=O)c1cccc2[nH]c(C3CCC(c4ccccc4)CC3)nc12
InChIInChI=1S/C20H21N3O/c21-19(24)16-7-4-8-17-18(16)23-20(22-17)15-11-9-14(10-12-15)13-5-2-1-3-6-13/h1-8,14-15H,9-12H2,(H2,21,24)(H,22,23)
InChIKeyUHVWSYMYBBQOQM-UHFFFAOYSA-N
XLogP4.10
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylcyclohexyl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-(4-phenylcyclohexyl)-1H-benzimidazole-4-carboxamide (CID 22718147) is 2-(4-phenylcyclohexyl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-(4-phenylcyclohexyl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-(4-phenylcyclohexyl)-1H-benzimidazole-4-carboxamide is NC(=O)c1cccc2[nH]c(C3CCC(c4ccccc4)CC3)nc12.
What is the InChIKey of 2-(4-phenylcyclohexyl)-1H-benzimidazole-4-carboxamide?
The InChIKey is UHVWSYMYBBQOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c21-19(24)16-7-4-8-17-18(16)23-20(22-17)15-11-9-14(10-12-15)13-5-2-1-3-6-13/h1-8,14-15H,9-12H2,(H2,21,24)(H,22,23).
What are the key properties of 2-(4-phenylcyclohexyl)-1H-benzimidazole-4-carboxamide?
2-(4-phenylcyclohexyl)-1H-benzimidazole-4-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 4.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylcyclohexyl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 22718147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).