2-benzhydryl-3-benzyl-N-cyclohexyl-4,5-dihydroimidazole-4-carboxamide

C30H33N3O — CID 15426216

IUPAC2-benzhydryl-3-benzyl-N-cyclohexyl-4,5-dihydroimidazole-4-carboxamide
SMILESO=C(NC1CCCCC1)C1CN=C(C(c2ccccc2)c2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C30H33N3O/c34-30(32-26-19-11-4-12-20-26)27-21-31-29(33(27)22-23-13-5-1-6-14-23)28(24-15-7-2-8-16-24)25-17-9-3-10-18-25/h1-3,5-10,13-18,26-28H,4,11-12,19-22H2,(H,32,34)
InChIKeyMGWYGKPDZVTXEU-UHFFFAOYSA-N
MW451.61 g/mol
LogP5.55
Rot. Bonds7

About 2-benzhydryl-3-benzyl-N-cyclohexyl-4,5-dihydroimidazole-4-carboxamide

2-benzhydryl-3-benzyl-N-cyclohexyl-4,5-dihydroimidazole-4-carboxamide (PubChem CID 15426216) has the molecular formula C30H33N3O and a molecular weight of 451.61 g/mol. Its IUPAC name is 2-benzhydryl-3-benzyl-N-cyclohexyl-4,5-dihydroimidazole-4-carboxamide.

Molecular Properties

Compound Name2-benzhydryl-3-benzyl-N-cyclohexyl-4,5-dihydroimidazole-4-carboxamide
PubChem CID15426216
Molecular FormulaC30H33N3O
Molecular Weight451.61 g/mol
Exact Mass451.26
IUPAC Name2-benzhydryl-3-benzyl-N-cyclohexyl-4,5-dihydroimidazole-4-carboxamide
SMILESO=C(NC1CCCCC1)C1CN=C(C(c2ccccc2)c2ccccc2)N1Cc1ccccc1
InChIInChI=1S/C30H33N3O/c34-30(32-26-19-11-4-12-20-26)27-21-31-29(33(27)22-23-13-5-1-6-14-23)28(24-15-7-2-8-16-24)25-17-9-3-10-18-25/h1-3,5-10,13-18,26-28H,4,11-12,19-22H2,(H,32,34)
InChIKeyMGWYGKPDZVTXEU-UHFFFAOYSA-N
XLogP5.55
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.61
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 2186968
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CID 15426219
(2R)-N-cycloheptyl-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 95190248
2-chloro-N-cyclohexyl-2-phenylacetamide
CID 11032339
N-cycloheptyl-2-phenylbutanamide
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4-benzyl-N-cyclohexyl-5-oxo-2-phenyl-3H-1,4-benzodiazepine-3-carboxamide
CID 25257301
1-benzyl-N-cyclohexyl-3,6-dioxo-5-(2-phenylethyl)piperazine-2-carboxamide
CID 18338631
N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)-2-cyclohexyl-2-phenylacetamide
CID 68902944
(2S)-1-benzyl-N-(thian-4-yl)piperidine-2-carboxamide
CID 97215907
N-cyclopentyl-2-phenylacetamide;hydrochloride
CID 69292876
2-(4-benzyl-2,3-dihydro-1,4-benzoxazin-3-yl)-N-cyclooctylacetamide
CID 53034029
2-[(3R)-4-benzyl-2,3-dihydro-1,4-benzoxazin-3-yl]-N-cycloheptylacetamide
CID 95055807

Frequently Asked Questions

What is the IUPAC name of 2-benzhydryl-3-benzyl-N-cyclohexyl-4,5-dihydroimidazole-4-carboxamide?
The IUPAC name of 2-benzhydryl-3-benzyl-N-cyclohexyl-4,5-dihydroimidazole-4-carboxamide (CID 15426216) is 2-benzhydryl-3-benzyl-N-cyclohexyl-4,5-dihydroimidazole-4-carboxamide.
What is the SMILES notation for 2-benzhydryl-3-benzyl-N-cyclohexyl-4,5-dihydroimidazole-4-carboxamide?
The canonical SMILES for 2-benzhydryl-3-benzyl-N-cyclohexyl-4,5-dihydroimidazole-4-carboxamide is O=C(NC1CCCCC1)C1CN=C(C(c2ccccc2)c2ccccc2)N1Cc1ccccc1.
What is the InChIKey of 2-benzhydryl-3-benzyl-N-cyclohexyl-4,5-dihydroimidazole-4-carboxamide?
The InChIKey is MGWYGKPDZVTXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3O/c34-30(32-26-19-11-4-12-20-26)27-21-31-29(33(27)22-23-13-5-1-6-14-23)28(24-15-7-2-8-16-24)25-17-9-3-10-18-25/h1-3,5-10,13-18,26-28H,4,11-12,19-22H2,(H,32,34).
What are the key properties of 2-benzhydryl-3-benzyl-N-cyclohexyl-4,5-dihydroimidazole-4-carboxamide?
2-benzhydryl-3-benzyl-N-cyclohexyl-4,5-dihydroimidazole-4-carboxamide has a molecular weight of 451.61 g/mol, XLogP of 5.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydryl-3-benzyl-N-cyclohexyl-4,5-dihydroimidazole-4-carboxamide is sourced from PubChem (CID 15426216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).