N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]cyclohexanecarboxamide

C28H29N3O — CID 46290501

IUPACN-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]cyclohexanecarboxamide
SMILESO=C(Nc1ccc(CCc2nc3ccccc3n2-c2ccccc2)cc1)C1CCCCC1
InChIInChI=1S/C28H29N3O/c32-28(22-9-3-1-4-10-22)29-23-18-15-21(16-19-23)17-20-27-30-25-13-7-8-14-26(25)31(27)24-11-5-2-6-12-24/h2,5-8,11-16,18-19,22H,1,3-4,9-10,17,20H2,(H,29,32)
InChIKeyUTNTWVUVEHPPDH-UHFFFAOYSA-N
MW423.56 g/mol
LogP6.33
Rot. Bonds6

About N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]cyclohexanecarboxamide

N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]cyclohexanecarboxamide (PubChem CID 46290501) has the molecular formula C28H29N3O and a molecular weight of 423.56 g/mol. Its IUPAC name is N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]cyclohexanecarboxamide
PubChem CID46290501
Molecular FormulaC28H29N3O
Molecular Weight423.56 g/mol
Exact Mass423.23
IUPAC NameN-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]cyclohexanecarboxamide
SMILESO=C(Nc1ccc(CCc2nc3ccccc3n2-c2ccccc2)cc1)C1CCCCC1
InChIInChI=1S/C28H29N3O/c32-28(22-9-3-1-4-10-22)29-23-18-15-21(16-19-23)17-20-27-30-25-13-7-8-14-26(25)31(27)24-11-5-2-6-12-24/h2,5-8,11-16,18-19,22H,1,3-4,9-10,17,20H2,(H,29,32)
InChIKeyUTNTWVUVEHPPDH-UHFFFAOYSA-N
XLogP6.33
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.56
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]cyclopropanecarboxamide
CID 50765566
N-[3-[[3-(1-phenylbenzimidazol-2-yl)propanoylamino]methyl]phenyl]cyclobutanecarboxamide
CID 55632069
N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]pyrazine-2-carboxamide
CID 46290496
3-(4-methoxyphenyl)-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]propanamide
CID 46290493
(2S)-2-phenoxy-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]propanamide
CID 92866618
1-phenyl-3-[3-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea
CID 46382224
1-(2,5-dimethylphenyl)-3-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]urea
CID 46382396
(3S)-N-(4-bromophenyl)-1-[[1-(4-bromophenyl)benzimidazol-2-yl]methyl]piperidine-3-carboxamide
CID 124786075
(3S)-1-[[1-(4-fluorophenyl)benzimidazol-2-yl]methyl]-N-phenylpiperidine-3-carboxamide
CID 124786185
(3R)-1-[3-(1-phenylbenzimidazol-2-yl)propanoyl]piperidine-3-carboxylic acid
CID 129382470
2-chloro-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]benzenesulfonamide
CID 46379549
3-(1-phenylbenzimidazol-2-yl)-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 52896555

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]cyclohexanecarboxamide (CID 46290501) is N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]cyclohexanecarboxamide is O=C(Nc1ccc(CCc2nc3ccccc3n2-c2ccccc2)cc1)C1CCCCC1.
What is the InChIKey of N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]cyclohexanecarboxamide?
The InChIKey is UTNTWVUVEHPPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O/c32-28(22-9-3-1-4-10-22)29-23-18-15-21(16-19-23)17-20-27-30-25-13-7-8-14-26(25)31(27)24-11-5-2-6-12-24/h2,5-8,11-16,18-19,22H,1,3-4,9-10,17,20H2,(H,29,32).
What are the key properties of N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]cyclohexanecarboxamide?
N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]cyclohexanecarboxamide has a molecular weight of 423.56 g/mol, XLogP of 6.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 46290501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).