N-[(1S)-1-(4-fluorophenyl)ethyl]-3-phenylimidazole-4-carboxamide

C18H16FN3O — CID 30969685

IUPACN-[(1S)-1-(4-fluorophenyl)ethyl]-3-phenylimidazole-4-carboxamide
SMILESC[C@H](NC(=O)c1cncn1-c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C18H16FN3O/c1-13(14-7-9-15(19)10-8-14)21-18(23)17-11-20-12-22(17)16-5-3-2-4-6-16/h2-13H,1H3,(H,21,23)/t13-/m0/s1
InChIKeyLDUPSLMFZVWIED-ZDUSSCGKSA-N
MW309.34 g/mol
LogP3.50
Rot. Bonds4

About N-[(1S)-1-(4-fluorophenyl)ethyl]-3-phenylimidazole-4-carboxamide

N-[(1S)-1-(4-fluorophenyl)ethyl]-3-phenylimidazole-4-carboxamide (PubChem CID 30969685) has the molecular formula C18H16FN3O and a molecular weight of 309.34 g/mol. Its IUPAC name is N-[(1S)-1-(4-fluorophenyl)ethyl]-3-phenylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-fluorophenyl)ethyl]-3-phenylimidazole-4-carboxamide
PubChem CID30969685
Molecular FormulaC18H16FN3O
Molecular Weight309.34 g/mol
Exact Mass309.13
IUPAC NameN-[(1S)-1-(4-fluorophenyl)ethyl]-3-phenylimidazole-4-carboxamide
SMILESC[C@H](NC(=O)c1cncn1-c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C18H16FN3O/c1-13(14-7-9-15(19)10-8-14)21-18(23)17-11-20-12-22(17)16-5-3-2-4-6-16/h2-13H,1H3,(H,21,23)/t13-/m0/s1
InChIKeyLDUPSLMFZVWIED-ZDUSSCGKSA-N
XLogP3.50
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-fluorophenyl)-N-[(1S)-1-pyridin-4-ylethyl]imidazole-4-carboxamide
CID 39949661
[2-oxo-2-(1-phenylethylamino)ethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate
CID 18192374
methyl (2S)-2-[(3-phenylimidazole-4-carbonyl)amino]propanoate
CID 87040197
[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl] 3-(4-fluorophenyl)imidazole-4-carboxylate
CID 43026994
3-(4-fluorophenyl)-N'-[(3S)-3-phenylbutanoyl]imidazole-4-carbohydrazide
CID 40591024
N-[(2S)-1-hydroxybutan-2-yl]-3-phenylimidazole-4-carboxamide
CID 93033612
N-[1-(4-bromophenyl)ethyl]-3-[4-(2-methylphenyl)phenyl]imidazole-4-carboxamide
CID 46081366
N-[(1S)-1-(4-bromophenyl)ethyl]-3-[4-(2-methylphenyl)phenyl]imidazole-4-carboxamide
CID 92773011
3-phenyl-N-[(2R)-4-phenylbutan-2-yl]imidazole-4-carboxamide
CID 30969676
(2S)-3-hydroxy-2-[(3-phenylimidazole-4-carbonyl)amino]propanoic acid
CID 61153195
3-(4-fluorophenyl)imidazole-4-carbohydrazide
CID 5092120
N-ethyl-3-phenylimidazole-4-carboxamide
CID 47109591

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-fluorophenyl)ethyl]-3-phenylimidazole-4-carboxamide?
The IUPAC name of N-[(1S)-1-(4-fluorophenyl)ethyl]-3-phenylimidazole-4-carboxamide (CID 30969685) is N-[(1S)-1-(4-fluorophenyl)ethyl]-3-phenylimidazole-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-(4-fluorophenyl)ethyl]-3-phenylimidazole-4-carboxamide?
The canonical SMILES for N-[(1S)-1-(4-fluorophenyl)ethyl]-3-phenylimidazole-4-carboxamide is C[C@H](NC(=O)c1cncn1-c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of N-[(1S)-1-(4-fluorophenyl)ethyl]-3-phenylimidazole-4-carboxamide?
The InChIKey is LDUPSLMFZVWIED-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H16FN3O/c1-13(14-7-9-15(19)10-8-14)21-18(23)17-11-20-12-22(17)16-5-3-2-4-6-16/h2-13H,1H3,(H,21,23)/t13-/m0/s1.
What are the key properties of N-[(1S)-1-(4-fluorophenyl)ethyl]-3-phenylimidazole-4-carboxamide?
N-[(1S)-1-(4-fluorophenyl)ethyl]-3-phenylimidazole-4-carboxamide has a molecular weight of 309.34 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-fluorophenyl)ethyl]-3-phenylimidazole-4-carboxamide is sourced from PubChem (CID 30969685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).