4-(1H-benzimidazol-2-yl)-N,N-dicyclohexylbenzamide

C26H31N3O — CID 3572138

IUPAC4-(1H-benzimidazol-2-yl)-N,N-dicyclohexylbenzamide
SMILESO=C(c1ccc(-c2nc3ccccc3[nH]2)cc1)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C26H31N3O/c30-26(29(21-9-3-1-4-10-21)22-11-5-2-6-12-22)20-17-15-19(16-18-20)25-27-23-13-7-8-14-24(23)28-25/h7-8,13-18,21-22H,1-6,9-12H2,(H,27,28)
InChIKeyHNSPCIYBLSAXEE-UHFFFAOYSA-N
MW401.55 g/mol
LogP6.34
Rot. Bonds4

About 4-(1H-benzimidazol-2-yl)-N,N-dicyclohexylbenzamide

4-(1H-benzimidazol-2-yl)-N,N-dicyclohexylbenzamide (PubChem CID 3572138) has the molecular formula C26H31N3O and a molecular weight of 401.55 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-yl)-N,N-dicyclohexylbenzamide.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-yl)-N,N-dicyclohexylbenzamide
PubChem CID3572138
Molecular FormulaC26H31N3O
Molecular Weight401.55 g/mol
Exact Mass401.25
IUPAC Name4-(1H-benzimidazol-2-yl)-N,N-dicyclohexylbenzamide
SMILESO=C(c1ccc(-c2nc3ccccc3[nH]2)cc1)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C26H31N3O/c30-26(29(21-9-3-1-4-10-21)22-11-5-2-6-12-22)20-17-15-19(16-18-20)25-27-23-13-7-8-14-24(23)28-25/h7-8,13-18,21-22H,1-6,9-12H2,(H,27,28)
InChIKeyHNSPCIYBLSAXEE-UHFFFAOYSA-N
XLogP6.34
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.55
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide
CID 2465476
4-(1H-benzimidazol-2-yl)benzamide
CID 56736972
[2-(dicyclohexylamino)-2-oxoethyl] 2-(4-methylphenyl)-3H-benzimidazole-5-carboxylate
CID 23943749
2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
CID 12522580
benzene-1,4-dicarboxamide;2-phenyl-1H-benzimidazole
CID 67481934
prop-2-enyl 4-(1H-benzimidazol-2-yl)benzoate
CID 91673657
N,N-dicyclohexyl-4-fluorobenzamide
CID 784952
N-[3-(1H-benzimidazol-2-yl)-5-(cyclohexanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 1278030
[4-(1H-benzimidazol-2-yl)phenyl]-[(2S)-2-(2-methoxyethyl)piperidin-1-yl]methanone
CID 126450375
1-[4-(1H-benzimidazol-2-yl)phenyl]cyclopropane-1-carboxylic acid
CID 167313683
4-(1H-benzimidazol-2-yl)-N-(2-phenylethyl)benzamide
CID 100577407
4-(1H-benzimidazol-2-yl)-N-butylbenzamide
CID 100577263

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-yl)-N,N-dicyclohexylbenzamide?
The IUPAC name of 4-(1H-benzimidazol-2-yl)-N,N-dicyclohexylbenzamide (CID 3572138) is 4-(1H-benzimidazol-2-yl)-N,N-dicyclohexylbenzamide.
What is the SMILES notation for 4-(1H-benzimidazol-2-yl)-N,N-dicyclohexylbenzamide?
The canonical SMILES for 4-(1H-benzimidazol-2-yl)-N,N-dicyclohexylbenzamide is O=C(c1ccc(-c2nc3ccccc3[nH]2)cc1)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 4-(1H-benzimidazol-2-yl)-N,N-dicyclohexylbenzamide?
The InChIKey is HNSPCIYBLSAXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O/c30-26(29(21-9-3-1-4-10-21)22-11-5-2-6-12-22)20-17-15-19(16-18-20)25-27-23-13-7-8-14-24(23)28-25/h7-8,13-18,21-22H,1-6,9-12H2,(H,27,28).
What are the key properties of 4-(1H-benzimidazol-2-yl)-N,N-dicyclohexylbenzamide?
4-(1H-benzimidazol-2-yl)-N,N-dicyclohexylbenzamide has a molecular weight of 401.55 g/mol, XLogP of 6.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-yl)-N,N-dicyclohexylbenzamide is sourced from PubChem (CID 3572138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).