N-(4-fluorophenyl)-N-methyl-3-[(1R)-1-phenylethyl]imidazole-4-carboxamide

C19H18FN3O — CID 162645557

IUPACN-(4-fluorophenyl)-N-methyl-3-[(1R)-1-phenylethyl]imidazole-4-carboxamide
SMILESC[C@H](c1ccccc1)n1cncc1C(=O)N(C)c1ccc(F)cc1
InChIInChI=1S/C19H18FN3O/c1-14(15-6-4-3-5-7-15)23-13-21-12-18(23)19(24)22(2)17-10-8-16(20)9-11-17/h3-14H,1-2H3/t14-/m1/s1
InChIKeyYBSAMTMGGXFZPR-CQSZACIVSA-N
MW323.37 g/mol
LogP3.91
Rot. Bonds4

About N-(4-fluorophenyl)-N-methyl-3-[(1R)-1-phenylethyl]imidazole-4-carboxamide

N-(4-fluorophenyl)-N-methyl-3-[(1R)-1-phenylethyl]imidazole-4-carboxamide (PubChem CID 162645557) has the molecular formula C19H18FN3O and a molecular weight of 323.37 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N-methyl-3-[(1R)-1-phenylethyl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N-methyl-3-[(1R)-1-phenylethyl]imidazole-4-carboxamide
PubChem CID162645557
Molecular FormulaC19H18FN3O
Molecular Weight323.37 g/mol
Exact Mass323.14
IUPAC NameN-(4-fluorophenyl)-N-methyl-3-[(1R)-1-phenylethyl]imidazole-4-carboxamide
SMILESC[C@H](c1ccccc1)n1cncc1C(=O)N(C)c1ccc(F)cc1
InChIInChI=1S/C19H18FN3O/c1-14(15-6-4-3-5-7-15)23-13-21-12-18(23)19(24)22(2)17-10-8-16(20)9-11-17/h3-14H,1-2H3/t14-/m1/s1
InChIKeyYBSAMTMGGXFZPR-CQSZACIVSA-N
XLogP3.91
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Pf-3463275
CID 44156901
Ins018_055
CID 164938183
(1-Benzyl-1h-Imidazol-4-Yl)[4-(2-Chlorophenyl)piperazin-1-Yl]methanone
CID 74983356
3H-Imidazole-4-carboxylic acid, 3-methyl-5-[(pyridin-4-ylmethyl)amino]-, (4-tert-butylphenyl)amide
CID 6425419
2,5-dimethyl-1-phenyl-N-(2-(trifluoromethyl)benzyl)-1H-imidazole-4-carboxamide
CID 11996351
(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[3-[(1R)-1-phenylethyl]imidazol-4-yl]methanone
CID 155669602
Dimabefylline
CID 71646
1-Benzyl-1H-imidazole-5-carboxaldehyde
CID 2773239
2-anilino-9-[4-(2-phenyl-1-piperidyl)butyl]-1H-purin-6-one
CID 135514486
1-(2-tert-Butylphenyl)-4-(1H-imidazol-4-ylcarbonyl)piperazine
CID 66751133
N-(2-fluoro-5-methylphenyl)-3-phenylimidazole-4-carboxamide
CID 8002584
7-benzyl-8-(1H-imidazol-1-yl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
CID 797199

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N-methyl-3-[(1R)-1-phenylethyl]imidazole-4-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-N-methyl-3-[(1R)-1-phenylethyl]imidazole-4-carboxamide (CID 162645557) is N-(4-fluorophenyl)-N-methyl-3-[(1R)-1-phenylethyl]imidazole-4-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-N-methyl-3-[(1R)-1-phenylethyl]imidazole-4-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-N-methyl-3-[(1R)-1-phenylethyl]imidazole-4-carboxamide is C[C@H](c1ccccc1)n1cncc1C(=O)N(C)c1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-N-methyl-3-[(1R)-1-phenylethyl]imidazole-4-carboxamide?
The InChIKey is YBSAMTMGGXFZPR-CQSZACIVSA-N. The full InChI is InChI=1S/C19H18FN3O/c1-14(15-6-4-3-5-7-15)23-13-21-12-18(23)19(24)22(2)17-10-8-16(20)9-11-17/h3-14H,1-2H3/t14-/m1/s1.
What are the key properties of N-(4-fluorophenyl)-N-methyl-3-[(1R)-1-phenylethyl]imidazole-4-carboxamide?
N-(4-fluorophenyl)-N-methyl-3-[(1R)-1-phenylethyl]imidazole-4-carboxamide has a molecular weight of 323.37 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N-methyl-3-[(1R)-1-phenylethyl]imidazole-4-carboxamide is sourced from PubChem (CID 162645557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).