N-[(4-tert-butylphenyl)methyl]-3-(4-fluorophenyl)-N-methylimidazole-4-carboxamide

C22H24FN3O — CID 24515107

IUPACN-[(4-tert-butylphenyl)methyl]-3-(4-fluorophenyl)-N-methylimidazole-4-carboxamide
SMILESCN(Cc1ccc(C(C)(C)C)cc1)C(=O)c1cncn1-c1ccc(F)cc1
InChIInChI=1S/C22H24FN3O/c1-22(2,3)17-7-5-16(6-8-17)14-25(4)21(27)20-13-24-15-26(20)19-11-9-18(23)10-12-19/h5-13,15H,14H2,1-4H3
InChIKeyRMVKVAQNMYZXQJ-UHFFFAOYSA-N
MW365.45 g/mol
LogP4.58
Rot. Bonds4

About N-[(4-tert-butylphenyl)methyl]-3-(4-fluorophenyl)-N-methylimidazole-4-carboxamide

N-[(4-tert-butylphenyl)methyl]-3-(4-fluorophenyl)-N-methylimidazole-4-carboxamide (PubChem CID 24515107) has the molecular formula C22H24FN3O and a molecular weight of 365.45 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methyl]-3-(4-fluorophenyl)-N-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)methyl]-3-(4-fluorophenyl)-N-methylimidazole-4-carboxamide
PubChem CID24515107
Molecular FormulaC22H24FN3O
Molecular Weight365.45 g/mol
Exact Mass365.19
IUPAC NameN-[(4-tert-butylphenyl)methyl]-3-(4-fluorophenyl)-N-methylimidazole-4-carboxamide
SMILESCN(Cc1ccc(C(C)(C)C)cc1)C(=O)c1cncn1-c1ccc(F)cc1
InChIInChI=1S/C22H24FN3O/c1-22(2,3)17-7-5-16(6-8-17)14-25(4)21(27)20-13-24-15-26(20)19-11-9-18(23)10-12-19/h5-13,15H,14H2,1-4H3
InChIKeyRMVKVAQNMYZXQJ-UHFFFAOYSA-N
XLogP4.58
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
1-(2-tert-Butylphenyl)-4-(1H-imidazol-4-ylcarbonyl)piperazine
CID 66751133
N-(2-fluoro-5-methylphenyl)-3-phenylimidazole-4-carboxamide
CID 8002584
N-methoxy-N-methyl-3-[(1R)-1-phenylethyl]imidazole-4-carboxamide
CID 24828313
1-[3-[(1R)-1-phenylethyl]imidazol-4-yl]ethanone
CID 24828314
N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-1-phenyl-2-propylimidazole-4-carboxamide;dihydrochloride
CID 54577014
N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-1-(4-fluorophenyl)-2-propylimidazole-4-carboxamide;dihydrochloride
CID 54578099
(1-Methylimidazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 72195775
(3-Methylimidazol-4-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 72195777
(4-Cyclopropyl-2,3-dihydroquinoxalin-1-yl)-[3-[(4-fluorophenyl)methyl]imidazol-4-yl]methanone
CID 155669591

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methyl]-3-(4-fluorophenyl)-N-methylimidazole-4-carboxamide?
The IUPAC name of N-[(4-tert-butylphenyl)methyl]-3-(4-fluorophenyl)-N-methylimidazole-4-carboxamide (CID 24515107) is N-[(4-tert-butylphenyl)methyl]-3-(4-fluorophenyl)-N-methylimidazole-4-carboxamide.
What is the SMILES notation for N-[(4-tert-butylphenyl)methyl]-3-(4-fluorophenyl)-N-methylimidazole-4-carboxamide?
The canonical SMILES for N-[(4-tert-butylphenyl)methyl]-3-(4-fluorophenyl)-N-methylimidazole-4-carboxamide is CN(Cc1ccc(C(C)(C)C)cc1)C(=O)c1cncn1-c1ccc(F)cc1.
What is the InChIKey of N-[(4-tert-butylphenyl)methyl]-3-(4-fluorophenyl)-N-methylimidazole-4-carboxamide?
The InChIKey is RMVKVAQNMYZXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O/c1-22(2,3)17-7-5-16(6-8-17)14-25(4)21(27)20-13-24-15-26(20)19-11-9-18(23)10-12-19/h5-13,15H,14H2,1-4H3.
What are the key properties of N-[(4-tert-butylphenyl)methyl]-3-(4-fluorophenyl)-N-methylimidazole-4-carboxamide?
N-[(4-tert-butylphenyl)methyl]-3-(4-fluorophenyl)-N-methylimidazole-4-carboxamide has a molecular weight of 365.45 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)methyl]-3-(4-fluorophenyl)-N-methylimidazole-4-carboxamide is sourced from PubChem (CID 24515107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).