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

C36H41N5O — CID 15426219

IUPAC2-benzhydryl-5-benzyl-N-cyclohexyl-3-(3-imidazol-1-ylpropyl)-4,5-dihydroimidazole-4-carboxamide
SMILESO=C(NC1CCCCC1)C1C(Cc2ccccc2)N=C(C(c2ccccc2)c2ccccc2)N1CCCn1ccnc1
InChIInChI=1S/C36H41N5O/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/h1-3,5-10,14-19,22,25,27,31-34H,4,11-13,20-21,23-24,26H2,(H,38,42)
InChIKeyLMTXTYGKCLZEPX-UHFFFAOYSA-N
MW559.76 g/mol
LogP6.25
Rot. Bonds11

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

2-benzhydryl-5-benzyl-N-cyclohexyl-3-(3-imidazol-1-ylpropyl)-4,5-dihydroimidazole-4-carboxamide (PubChem CID 15426219) has the molecular formula C36H41N5O and a molecular weight of 559.76 g/mol. Its IUPAC name is 2-benzhydryl-5-benzyl-N-cyclohexyl-3-(3-imidazol-1-ylpropyl)-4,5-dihydroimidazole-4-carboxamide.

Molecular Properties

Compound Name2-benzhydryl-5-benzyl-N-cyclohexyl-3-(3-imidazol-1-ylpropyl)-4,5-dihydroimidazole-4-carboxamide
PubChem CID15426219
Molecular FormulaC36H41N5O
Molecular Weight559.76 g/mol
Exact Mass559.33
IUPAC Name2-benzhydryl-5-benzyl-N-cyclohexyl-3-(3-imidazol-1-ylpropyl)-4,5-dihydroimidazole-4-carboxamide
SMILESO=C(NC1CCCCC1)C1C(Cc2ccccc2)N=C(C(c2ccccc2)c2ccccc2)N1CCCn1ccnc1
InChIInChI=1S/C36H41N5O/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/h1-3,5-10,14-19,22,25,27,31-34H,4,11-13,20-21,23-24,26H2,(H,38,42)
InChIKeyLMTXTYGKCLZEPX-UHFFFAOYSA-N
XLogP6.25
TPSA62.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.76
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-benzhydryl-5-benzyl-N-cyclohexyl-3-(3-imidazol-1-ylpropyl)imidazole-4-carboxamide
CID 100940756
2-benzhydryl-3-benzyl-N-cyclohexyl-4,5-dihydroimidazole-4-carboxamide
CID 15426216
2-benzhydryl-5-[[4-(cyclohexa-2,4-dien-1-ylmethoxy)phenyl]methyl]-3-(3-phenylpropyl)-N-propan-2-yl-4,5-dihydroimidazole-4-carboxamide
CID 142043801
benzyl N-[3-(3-imidazol-1-ylpropylamino)cyclobutyl]carbamate
CID 103392953
N-cyclohexyl-1-(4-imidazol-1-ylbutyl)imidazol-2-amine
CID 106565971
N-[cyclopentyl(phenyl)methyl]-2-imidazol-1-yl-N-methylacetamide
CID 166627921
N-cyclopentyl-4-(imidazol-1-ylmethyl)benzamide
CID 43918576
4-(cyclohexylcarbamoylamino)-N-[4-(imidazol-1-ylmethyl)phenyl]piperidine-1-carboxamide
CID 86933267
5-(benzhydrylamino)-4-(hydroxymethyl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one
CID 91352656
1-(8-phenyloctyl)imidazole
CID 102394184
6-benzyl-N-cyclohexyl-1-(2,2-diphenylacetyl)-5-oxo-3-[(4-phenylphenyl)methyl]piperazine-2-carboxamide
CID 18338724
1-[(1S,2R,4R,9S,10R)-2-benzyl-3,10-dimethyl-3,12-diazatricyclo[7.2.1.04,10]dodecan-12-yl]-2-imidazol-1-ylethanone
CID 110140665

Frequently Asked Questions

What is the IUPAC name of 2-benzhydryl-5-benzyl-N-cyclohexyl-3-(3-imidazol-1-ylpropyl)-4,5-dihydroimidazole-4-carboxamide?
The IUPAC name of 2-benzhydryl-5-benzyl-N-cyclohexyl-3-(3-imidazol-1-ylpropyl)-4,5-dihydroimidazole-4-carboxamide (CID 15426219) is 2-benzhydryl-5-benzyl-N-cyclohexyl-3-(3-imidazol-1-ylpropyl)-4,5-dihydroimidazole-4-carboxamide.
What is the SMILES notation for 2-benzhydryl-5-benzyl-N-cyclohexyl-3-(3-imidazol-1-ylpropyl)-4,5-dihydroimidazole-4-carboxamide?
The canonical SMILES for 2-benzhydryl-5-benzyl-N-cyclohexyl-3-(3-imidazol-1-ylpropyl)-4,5-dihydroimidazole-4-carboxamide is O=C(NC1CCCCC1)C1C(Cc2ccccc2)N=C(C(c2ccccc2)c2ccccc2)N1CCCn1ccnc1.
What is the InChIKey of 2-benzhydryl-5-benzyl-N-cyclohexyl-3-(3-imidazol-1-ylpropyl)-4,5-dihydroimidazole-4-carboxamide?
The InChIKey is LMTXTYGKCLZEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H41N5O/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/h1-3,5-10,14-19,22,25,27,31-34H,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)-4,5-dihydroimidazole-4-carboxamide?
2-benzhydryl-5-benzyl-N-cyclohexyl-3-(3-imidazol-1-ylpropyl)-4,5-dihydroimidazole-4-carboxamide has a molecular weight of 559.76 g/mol, XLogP of 6.25, 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)-4,5-dihydroimidazole-4-carboxamide is sourced from PubChem (CID 15426219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).