3-phenyl-N-[(1-phenylcyclopropyl)methyl]imidazole-4-carboxamide

C20H19N3O — CID 42145677

IUPAC3-phenyl-N-[(1-phenylcyclopropyl)methyl]imidazole-4-carboxamide
SMILESO=C(NCC1(c2ccccc2)CC1)c1cncn1-c1ccccc1
InChIInChI=1S/C20H19N3O/c24-19(18-13-21-15-23(18)17-9-5-2-6-10-17)22-14-20(11-12-20)16-7-3-1-4-8-16/h1-10,13,15H,11-12,14H2,(H,22,24)
InChIKeyCJUUHCBZLWOJJM-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.33
Rot. Bonds5

About 3-phenyl-N-[(1-phenylcyclopropyl)methyl]imidazole-4-carboxamide

3-phenyl-N-[(1-phenylcyclopropyl)methyl]imidazole-4-carboxamide (PubChem CID 42145677) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is 3-phenyl-N-[(1-phenylcyclopropyl)methyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name3-phenyl-N-[(1-phenylcyclopropyl)methyl]imidazole-4-carboxamide
PubChem CID42145677
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name3-phenyl-N-[(1-phenylcyclopropyl)methyl]imidazole-4-carboxamide
SMILESO=C(NCC1(c2ccccc2)CC1)c1cncn1-c1ccccc1
InChIInChI=1S/C20H19N3O/c24-19(18-13-21-15-23(18)17-9-5-2-6-10-17)22-14-20(11-12-20)16-7-3-1-4-8-16/h1-10,13,15H,11-12,14H2,(H,22,24)
InChIKeyCJUUHCBZLWOJJM-UHFFFAOYSA-N
XLogP3.33
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[(1-phenylcyclopropyl)methyl]pyrazole-3-carboxamide
CID 110467135
7-[(3-phenylimidazole-4-carbonyl)amino]heptanoic acid
CID 75414767
N-(3-amino-2-methylpropyl)-3-phenylimidazole-4-carboxamide
CID 119996977
N-[(1-phenylcyclopropyl)methyl]-3-(tetrazol-1-yl)benzamide
CID 51317271
2-methyl-4-[(3-phenylimidazole-4-carbonyl)amino]butanoic acid
CID 80536971
1-(cyclopropylmethyl)-3-[(3-phenylimidazole-4-carbonyl)amino]urea
CID 71898793
(2S)-3-hydroxy-2-[(3-phenylimidazole-4-carbonyl)amino]propanoic acid
CID 61153195
3-phenyl-N-(piperidin-3-ylmethyl)imidazole-4-carboxamide
CID 119464372
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-phenylimidazole-4-carboxamide
CID 111451586
N-[2-(3,4-dihydroxyphenyl)ethyl]-3-phenylimidazole-4-carboxamide
CID 78820322
N-[3-(4-methylpiperidin-1-yl)propyl]-3-phenylimidazole-4-carboxamide
CID 35416761
4-chloro-5-fluoro-N-[(1-phenylcyclopropyl)methyl]pyridine-3-carboxamide
CID 126828456

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[(1-phenylcyclopropyl)methyl]imidazole-4-carboxamide?
The IUPAC name of 3-phenyl-N-[(1-phenylcyclopropyl)methyl]imidazole-4-carboxamide (CID 42145677) is 3-phenyl-N-[(1-phenylcyclopropyl)methyl]imidazole-4-carboxamide.
What is the SMILES notation for 3-phenyl-N-[(1-phenylcyclopropyl)methyl]imidazole-4-carboxamide?
The canonical SMILES for 3-phenyl-N-[(1-phenylcyclopropyl)methyl]imidazole-4-carboxamide is O=C(NCC1(c2ccccc2)CC1)c1cncn1-c1ccccc1.
What is the InChIKey of 3-phenyl-N-[(1-phenylcyclopropyl)methyl]imidazole-4-carboxamide?
The InChIKey is CJUUHCBZLWOJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c24-19(18-13-21-15-23(18)17-9-5-2-6-10-17)22-14-20(11-12-20)16-7-3-1-4-8-16/h1-10,13,15H,11-12,14H2,(H,22,24).
What are the key properties of 3-phenyl-N-[(1-phenylcyclopropyl)methyl]imidazole-4-carboxamide?
3-phenyl-N-[(1-phenylcyclopropyl)methyl]imidazole-4-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[(1-phenylcyclopropyl)methyl]imidazole-4-carboxamide is sourced from PubChem (CID 42145677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).