N-[4-(1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide

C20H21N3O — CID 2465476

IUPACN-[4-(1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)C1CCCCC1
InChIInChI=1S/C20H21N3O/c24-20(15-6-2-1-3-7-15)21-16-12-10-14(11-13-16)19-22-17-8-4-5-9-18(17)23-19/h4-5,8-13,15H,1-3,6-7H2,(H,21,24)(H,22,23)
InChIKeyRRFXJVYZAIHBBW-UHFFFAOYSA-N
MW319.41 g/mol
LogP4.75
Rot. Bonds3

About N-[4-(1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide

N-[4-(1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide (PubChem CID 2465476) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is N-[4-(1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-(1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide
PubChem CID2465476
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC NameN-[4-(1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)C1CCCCC1
InChIInChI=1S/C20H21N3O/c24-20(15-6-2-1-3-7-15)21-16-12-10-14(11-13-16)19-22-17-8-4-5-9-18(17)23-19/h4-5,8-13,15H,1-3,6-7H2,(H,21,24)(H,22,23)
InChIKeyRRFXJVYZAIHBBW-UHFFFAOYSA-N
XLogP4.75
TPSA57.78 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 ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(1H-benzimidazol-2-yl)-5-(cyclohexanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 1278030
2-[4-(cyclohexanecarbonylamino)phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide
CID 11407983
N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(oxane-2-carbonyl)piperidine-4-carboxamide
CID 45236535
N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(2R)-oxane-2-carbonyl]piperidine-4-carboxamide
CID 42196348
N-(4-chlorophenyl)-2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide
CID 20740072
N-[2-[4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]-3H-benzimidazol-5-yl]cycloheptanecarboxamide
CID 10163584
N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 46568027
trans-(1S,2S)-N-[4-(1H-benzimidazol-2-yl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 40820911
N-[2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]bicyclo[2.2.1]heptane-2-carboxamide
CID 10161461
N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 72892284
N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[[(1R)-cyclohex-3-en-1-yl]methyl]piperidine-4-carboxamide
CID 42512495
[4-[[2-[4-(cyclopentanecarbonylamino)phenyl]-3H-benzimidazol-5-yl]carbamoyl]phenyl]chloranium
CID 142812894

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide (CID 2465476) is N-[4-(1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[4-(1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[4-(1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide is O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)C1CCCCC1.
What is the InChIKey of N-[4-(1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide?
The InChIKey is RRFXJVYZAIHBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c24-20(15-6-2-1-3-7-15)21-16-12-10-14(11-13-16)19-22-17-8-4-5-9-18(17)23-19/h4-5,8-13,15H,1-3,6-7H2,(H,21,24)(H,22,23).
What are the key properties of N-[4-(1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide?
N-[4-(1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide has a molecular weight of 319.41 g/mol, XLogP of 4.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 2465476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).