N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-phenylcyclohexane-1-carboxamide

C26H24ClN3O — CID 90031123

IUPACN-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-phenylcyclohexane-1-carboxamide
SMILESO=C(Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1)C1CCC(c2ccccc2)CC1
InChIInChI=1S/C26H24ClN3O/c27-22-15-14-20(16-21(22)25-29-23-8-4-5-9-24(23)30-25)28-26(31)19-12-10-18(11-13-19)17-6-2-1-3-7-17/h1-9,14-16,18-19H,10-13H2,(H,28,31)(H,29,30)
InChIKeyOOMDQHIKZCZNDJ-UHFFFAOYSA-N
MW429.95 g/mol
LogP6.80
Rot. Bonds4

About N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-phenylcyclohexane-1-carboxamide

N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-phenylcyclohexane-1-carboxamide (PubChem CID 90031123) has the molecular formula C26H24ClN3O and a molecular weight of 429.95 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-phenylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-phenylcyclohexane-1-carboxamide
PubChem CID90031123
Molecular FormulaC26H24ClN3O
Molecular Weight429.95 g/mol
Exact Mass429.16
IUPAC NameN-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-phenylcyclohexane-1-carboxamide
SMILESO=C(Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1)C1CCC(c2ccccc2)CC1
InChIInChI=1S/C26H24ClN3O/c27-22-15-14-20(16-21(22)25-29-23-8-4-5-9-24(23)30-25)28-26(31)19-12-10-18(11-13-19)17-6-2-1-3-7-17/h1-9,14-16,18-19H,10-13H2,(H,28,31)(H,29,30)
InChIKeyOOMDQHIKZCZNDJ-UHFFFAOYSA-N
XLogP6.80
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.95
LogP ≤ 56.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]pyridine-4-carboxamide
CID 5346054
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-cyanoacetamide
CID 168521087
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-3,5-bis(trifluoromethyl)benzamide
CID 89391347
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-(2-methylpiperidin-4-yl)benzamide
CID 141350760
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-2-chloropyridine-4-carboxamide
CID 89391363
N-[4-(1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide
CID 2465476
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-5-iodofuran-2-carboxamide
CID 1361388
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1,3-benzodioxole-5-carboxamide
CID 2208803
N-[3-(1H-benzimidazol-2-yl)-5-(cyclohexanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 1278030
N-[3-(1H-benzimidazol-2-yl)phenyl]piperidine-4-carboxamide;dihydrochloride
CID 119832390
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-3-(1,1-dioxothiazinan-2-yl)benzamide
CID 110162725
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-methoxy-2-methylbenzamide
CID 70967059

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-phenylcyclohexane-1-carboxamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-phenylcyclohexane-1-carboxamide (CID 90031123) is N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-phenylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-phenylcyclohexane-1-carboxamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-phenylcyclohexane-1-carboxamide is O=C(Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1)C1CCC(c2ccccc2)CC1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-phenylcyclohexane-1-carboxamide?
The InChIKey is OOMDQHIKZCZNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN3O/c27-22-15-14-20(16-21(22)25-29-23-8-4-5-9-24(23)30-25)28-26(31)19-12-10-18(11-13-19)17-6-2-1-3-7-17/h1-9,14-16,18-19H,10-13H2,(H,28,31)(H,29,30).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-phenylcyclohexane-1-carboxamide?
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-phenylcyclohexane-1-carboxamide has a molecular weight of 429.95 g/mol, XLogP of 6.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-phenylcyclohexane-1-carboxamide is sourced from PubChem (CID 90031123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).