1-methyl-N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]imidazole-2-carboxamide

C20H17F3N4O2 — CID 16745793

IUPAC1-methyl-N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]imidazole-2-carboxamide
SMILESCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)c1nccn1C
InChIInChI=1S/C20H17F3N4O2/c1-12-6-7-13(10-16(12)26-19(29)17-24-8-9-27(17)2)18(28)25-15-5-3-4-14(11-15)20(21,22)23/h3-11H,1-2H3,(H,25,28)(H,26,29)
InChIKeyKLPUKKUVWYVFNL-UHFFFAOYSA-N
MW402.38 g/mol
LogP4.25
Rot. Bonds4

About 1-methyl-N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]imidazole-2-carboxamide

1-methyl-N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]imidazole-2-carboxamide (PubChem CID 16745793) has the molecular formula C20H17F3N4O2 and a molecular weight of 402.38 g/mol. Its IUPAC name is 1-methyl-N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]imidazole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]imidazole-2-carboxamide
PubChem CID16745793
Molecular FormulaC20H17F3N4O2
Molecular Weight402.38 g/mol
Exact Mass402.13
IUPAC Name1-methyl-N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]imidazole-2-carboxamide
SMILESCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)c1nccn1C
InChIInChI=1S/C20H17F3N4O2/c1-12-6-7-13(10-16(12)26-19(29)17-24-8-9-27(17)2)18(28)25-15-5-3-4-14(11-15)20(21,22)23/h3-11H,1-2H3,(H,25,28)(H,26,29)
InChIKeyKLPUKKUVWYVFNL-UHFFFAOYSA-N
XLogP4.25
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.38
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Nilotinib
CID 644241
Radotinib
CID 16063245
Agi-5198
CID 56645356
Nilotinib Hydrochloride Anhydrous
CID 16006490
5-[(5-{[4-{[4-(2-Hydroxyethyl)piperazin-1-Yl]methyl}-3-(Trifluoromethyl)phenyl]carbamoyl}-2-Methylphenyl)ethynyl]-1-Methyl-1h-Imidazole-2-Carboxamide
CID 24863123
7-[[4-(1,5-dimethylimidazol-2-yl)piperazin-1-yl]methyl]-3-ethyl-1~{H}-quinolin-2-one
CID 156596361
CK 2130
CID 127770
analog of CK 3197
CID 10023912
3-acetyl-5-ethyl-4-[4-(2-methylimidazol-1-yl)benzoyl]-1H-imidazol-2-one
CID 15169589
Nilotinib Hydrochloride Monohydrate
CID 16757572
2-[2-(1-Methyl-4-phenyl-1H-imidazol-2-yl)ethyl]-4(3h)-quinazolinone
CID 136147462
5-((5-(4-((4-(2-methoxyethyl)piperazin-1-yl)methyl)-3-(trifluoromethyl)phenylcarbamoyl)-2-methylphenyl)ethynyl)-1-methyl-1H-imidazole-2-carboxamide
CID 54587257

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]imidazole-2-carboxamide?
The IUPAC name of 1-methyl-N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]imidazole-2-carboxamide (CID 16745793) is 1-methyl-N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]imidazole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]imidazole-2-carboxamide?
The canonical SMILES for 1-methyl-N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]imidazole-2-carboxamide is Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)c1nccn1C.
What is the InChIKey of 1-methyl-N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]imidazole-2-carboxamide?
The InChIKey is KLPUKKUVWYVFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O2/c1-12-6-7-13(10-16(12)26-19(29)17-24-8-9-27(17)2)18(28)25-15-5-3-4-14(11-15)20(21,22)23/h3-11H,1-2H3,(H,25,28)(H,26,29).
What are the key properties of 1-methyl-N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]imidazole-2-carboxamide?
1-methyl-N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]imidazole-2-carboxamide has a molecular weight of 402.38 g/mol, XLogP of 4.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]imidazole-2-carboxamide is sourced from PubChem (CID 16745793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).