3-phenyl-N-[(2R)-4-phenylbutan-2-yl]imidazole-4-carboxamide

C20H21N3O — CID 30969676

IUPAC3-phenyl-N-[(2R)-4-phenylbutan-2-yl]imidazole-4-carboxamide
SMILESC[C@H](CCc1ccccc1)NC(=O)c1cncn1-c1ccccc1
InChIInChI=1S/C20H21N3O/c1-16(12-13-17-8-4-2-5-9-17)22-20(24)19-14-21-15-23(19)18-10-6-3-7-11-18/h2-11,14-16H,12-13H2,1H3,(H,22,24)/t16-/m1/s1
InChIKeyVIZMAIACFINCLF-MRXNPFEDSA-N
MW319.41 g/mol
LogP3.62
Rot. Bonds6

About 3-phenyl-N-[(2R)-4-phenylbutan-2-yl]imidazole-4-carboxamide

3-phenyl-N-[(2R)-4-phenylbutan-2-yl]imidazole-4-carboxamide (PubChem CID 30969676) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 3-phenyl-N-[(2R)-4-phenylbutan-2-yl]imidazole-4-carboxamide.

Molecular Properties

Compound Name3-phenyl-N-[(2R)-4-phenylbutan-2-yl]imidazole-4-carboxamide
PubChem CID30969676
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name3-phenyl-N-[(2R)-4-phenylbutan-2-yl]imidazole-4-carboxamide
SMILESC[C@H](CCc1ccccc1)NC(=O)c1cncn1-c1ccccc1
InChIInChI=1S/C20H21N3O/c1-16(12-13-17-8-4-2-5-9-17)22-20(24)19-14-21-15-23(19)18-10-6-3-7-11-18/h2-11,14-16H,12-13H2,1H3,(H,22,24)/t16-/m1/s1
InChIKeyVIZMAIACFINCLF-MRXNPFEDSA-N
XLogP3.62
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(3,4-difluorophenyl)phenyl]-N-(4-phenylbutan-2-yl)imidazole-4-carboxamide
CID 46101317
3-[3-(3-chlorophenyl)phenyl]-N-(4-phenylbutan-2-yl)imidazole-4-carboxamide
CID 46102836
methyl (2S)-2-[(3-phenylimidazole-4-carbonyl)amino]propanoate
CID 87040197
3-[4-(4-butylphenyl)phenyl]-N-(5-methylhexan-2-yl)imidazole-4-carboxamide
CID 46102042
N-[(2S)-1-hydroxybutan-2-yl]-3-phenylimidazole-4-carboxamide
CID 93033612
(2S)-3-hydroxy-2-[(3-phenylimidazole-4-carbonyl)amino]propanoic acid
CID 61153195
N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3-phenylimidazole-4-carboxamide;ethane
CID 142316945
2-methyl-4-[(3-phenylimidazole-4-carbonyl)amino]butanoic acid
CID 80536971
N-[(2R)-5-methylhexan-2-yl]-3-[4-(2-methylphenyl)phenyl]imidazole-4-carboxamide
CID 92762304
N-[(2S)-5-methylhexan-2-yl]-3-[4-(2-methylphenyl)phenyl]imidazole-4-carboxamide
CID 92762305
N-ethyl-3-phenylimidazole-4-carboxamide
CID 47109591
N-[(1S)-1-(4-fluorophenyl)ethyl]-3-phenylimidazole-4-carboxamide
CID 30969685

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[(2R)-4-phenylbutan-2-yl]imidazole-4-carboxamide?
The IUPAC name of 3-phenyl-N-[(2R)-4-phenylbutan-2-yl]imidazole-4-carboxamide (CID 30969676) is 3-phenyl-N-[(2R)-4-phenylbutan-2-yl]imidazole-4-carboxamide.
What is the SMILES notation for 3-phenyl-N-[(2R)-4-phenylbutan-2-yl]imidazole-4-carboxamide?
The canonical SMILES for 3-phenyl-N-[(2R)-4-phenylbutan-2-yl]imidazole-4-carboxamide is C[C@H](CCc1ccccc1)NC(=O)c1cncn1-c1ccccc1.
What is the InChIKey of 3-phenyl-N-[(2R)-4-phenylbutan-2-yl]imidazole-4-carboxamide?
The InChIKey is VIZMAIACFINCLF-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H21N3O/c1-16(12-13-17-8-4-2-5-9-17)22-20(24)19-14-21-15-23(19)18-10-6-3-7-11-18/h2-11,14-16H,12-13H2,1H3,(H,22,24)/t16-/m1/s1.
What are the key properties of 3-phenyl-N-[(2R)-4-phenylbutan-2-yl]imidazole-4-carboxamide?
3-phenyl-N-[(2R)-4-phenylbutan-2-yl]imidazole-4-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[(2R)-4-phenylbutan-2-yl]imidazole-4-carboxamide is sourced from PubChem (CID 30969676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).