2-benzhydryl-5-benzyl-N-cyclohexyl-3-(3-imidazol-1-ylpropyl)imidazole-4-carboxamide

C36H39N5O — CID 100940756

IUPAC2-benzhydryl-5-benzyl-N-cyclohexyl-3-(3-imidazol-1-ylpropyl)imidazole-4-carboxamide
SMILESO=C(NC1CCCCC1)c1c(Cc2ccccc2)nc(C(c2ccccc2)c2ccccc2)n1CCCn1ccnc1
InChIInChI=1S/C36H39N5O/c42-36(38-31-20-11-4-12-21-31)34-32(26-28-14-5-1-6-15-28)39-35(41(34)24-13-23-40-25-22-37-27-40)33(29-16-7-2-8-17-29)30-18-9-3-10-19-30/h1-3,5-10,14-19,22,25,27,31,33H,4,11-13,20-21,23-24,26H2,(H,38,42)
InChIKeyRZMMMZNHUQIIDZ-UHFFFAOYSA-N
MW557.74 g/mol
LogP7.00
Rot. Bonds11

About 2-benzhydryl-5-benzyl-N-cyclohexyl-3-(3-imidazol-1-ylpropyl)imidazole-4-carboxamide

2-benzhydryl-5-benzyl-N-cyclohexyl-3-(3-imidazol-1-ylpropyl)imidazole-4-carboxamide (PubChem CID 100940756) has the molecular formula C36H39N5O and a molecular weight of 557.74 g/mol. Its IUPAC name is 2-benzhydryl-5-benzyl-N-cyclohexyl-3-(3-imidazol-1-ylpropyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name2-benzhydryl-5-benzyl-N-cyclohexyl-3-(3-imidazol-1-ylpropyl)imidazole-4-carboxamide
PubChem CID100940756
Molecular FormulaC36H39N5O
Molecular Weight557.74 g/mol
Exact Mass557.32
IUPAC Name2-benzhydryl-5-benzyl-N-cyclohexyl-3-(3-imidazol-1-ylpropyl)imidazole-4-carboxamide
SMILESO=C(NC1CCCCC1)c1c(Cc2ccccc2)nc(C(c2ccccc2)c2ccccc2)n1CCCn1ccnc1
InChIInChI=1S/C36H39N5O/c42-36(38-31-20-11-4-12-21-31)34-32(26-28-14-5-1-6-15-28)39-35(41(34)24-13-23-40-25-22-37-27-40)33(29-16-7-2-8-17-29)30-18-9-3-10-19-30/h1-3,5-10,14-19,22,25,27,31,33H,4,11-13,20-21,23-24,26H2,(H,38,42)
InChIKeyRZMMMZNHUQIIDZ-UHFFFAOYSA-N
XLogP7.00
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.74
LogP ≤ 57.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-benzhydryl-5-benzyl-N-cyclohexyl-3-(3-imidazol-1-ylpropyl)imidazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-benzhydryl-5-benzyl-N-cyclohexyl-3-(3-imidazol-1-ylpropyl)-4,5-dihydroimidazole-4-carboxamide
CID 15426219
N-cyclopentyl-4-(imidazol-1-ylmethyl)benzamide
CID 43918576
benzyl N-[3-(3-imidazol-1-ylpropylamino)cyclobutyl]carbamate
CID 103392953
N-cyclohexyl-3-(3-imidazol-1-ylpropanoylamino)benzamide
CID 47068944
5-(benzhydrylamino)-4-(hydroxymethyl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one
CID 91352656
2-chloro-N-(3-imidazol-1-ylpropyl)-2-phenylacetamide
CID 43243129
5-(benzhydrylamino)-4-(3,4-dihydro-2H-pyran-2-yl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one
CID 91279356
N-cyclohexyl-1-(4-imidazol-1-ylbutyl)imidazol-2-amine
CID 106565971
N-[cyclopentyl(phenyl)methyl]-2-imidazol-1-yl-N-methylacetamide
CID 166627921
3-benzhydryl-N-cyclohexyl-1-[2-(dimethylamino)ethyl]indole-2-carboxamide
CID 54041218
2-(cyclobutylamino)-N-(3-imidazol-1-ylpropyl)-3-phenylquinoxaline-6-carboxamide
CID 118463952
1-cyclohexyl-3-(2-imidazol-1-ylethyl)thiourea
CID 115570774

Frequently Asked Questions

What is the IUPAC name of 2-benzhydryl-5-benzyl-N-cyclohexyl-3-(3-imidazol-1-ylpropyl)imidazole-4-carboxamide?
The IUPAC name of 2-benzhydryl-5-benzyl-N-cyclohexyl-3-(3-imidazol-1-ylpropyl)imidazole-4-carboxamide (CID 100940756) is 2-benzhydryl-5-benzyl-N-cyclohexyl-3-(3-imidazol-1-ylpropyl)imidazole-4-carboxamide.
What is the SMILES notation for 2-benzhydryl-5-benzyl-N-cyclohexyl-3-(3-imidazol-1-ylpropyl)imidazole-4-carboxamide?
The canonical SMILES for 2-benzhydryl-5-benzyl-N-cyclohexyl-3-(3-imidazol-1-ylpropyl)imidazole-4-carboxamide is O=C(NC1CCCCC1)c1c(Cc2ccccc2)nc(C(c2ccccc2)c2ccccc2)n1CCCn1ccnc1.
What is the InChIKey of 2-benzhydryl-5-benzyl-N-cyclohexyl-3-(3-imidazol-1-ylpropyl)imidazole-4-carboxamide?
The InChIKey is RZMMMZNHUQIIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H39N5O/c42-36(38-31-20-11-4-12-21-31)34-32(26-28-14-5-1-6-15-28)39-35(41(34)24-13-23-40-25-22-37-27-40)33(29-16-7-2-8-17-29)30-18-9-3-10-19-30/h1-3,5-10,14-19,22,25,27,31,33H,4,11-13,20-21,23-24,26H2,(H,38,42).
What are the key properties of 2-benzhydryl-5-benzyl-N-cyclohexyl-3-(3-imidazol-1-ylpropyl)imidazole-4-carboxamide?
2-benzhydryl-5-benzyl-N-cyclohexyl-3-(3-imidazol-1-ylpropyl)imidazole-4-carboxamide has a molecular weight of 557.74 g/mol, XLogP of 7.00, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydryl-5-benzyl-N-cyclohexyl-3-(3-imidazol-1-ylpropyl)imidazole-4-carboxamide is sourced from PubChem (CID 100940756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).