N-propan-2-yl-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide

C14H14F3N3O — CID 100816389

IUPACN-propan-2-yl-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide
SMILESCC(C)NC(=O)c1cn(-c2cccc(C(F)(F)F)c2)cn1
InChIInChI=1S/C14H14F3N3O/c1-9(2)19-13(21)12-7-20(8-18-12)11-5-3-4-10(6-11)14(15,16)17/h3-9H,1-2H3,(H,19,21)
InChIKeyRKTQFOSUJDFRQO-UHFFFAOYSA-N
MW297.28 g/mol
LogP3.03
Rot. Bonds3

About N-propan-2-yl-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide

N-propan-2-yl-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide (PubChem CID 100816389) has the molecular formula C14H14F3N3O and a molecular weight of 297.28 g/mol. Its IUPAC name is N-propan-2-yl-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide
PubChem CID100816389
Molecular FormulaC14H14F3N3O
Molecular Weight297.28 g/mol
Exact Mass297.11
IUPAC NameN-propan-2-yl-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide
SMILESCC(C)NC(=O)c1cn(-c2cccc(C(F)(F)F)c2)cn1
InChIInChI=1S/C14H14F3N3O/c1-9(2)19-13(21)12-7-20(8-18-12)11-5-3-4-10(6-11)14(15,16)17/h3-9H,1-2H3,(H,19,21)
InChIKeyRKTQFOSUJDFRQO-UHFFFAOYSA-N
XLogP3.03
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide
CID 100819634
N-benzyl-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide
CID 100816156
N-(benzenesulfonyl)-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide
CID 139453020
(4-pyrimidin-2-ylpiperazin-1-yl)-[1-[3-(trifluoromethyl)phenyl]imidazol-4-yl]methanone
CID 100816160
3-methyl-2-[[1-[3-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]amino]pentanoic acid
CID 119211933
6-N-propan-2-yl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide
CID 109093750
1-phenyl-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]imidazole-4-carboxamide
CID 154850034
(2S)-4-methyl-2-[[1-[3-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]amino]pentanoic acid
CID 119360865
N-phenyl-1-[3-phosphanyl-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide
CID 142342388
N-propan-2-yl-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109109734
1-(4-piperidin-1-ylsulfonylphenyl)-N-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide
CID 53136007
(2S)-N-propan-2-yl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 25384906

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide?
The IUPAC name of N-propan-2-yl-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide (CID 100816389) is N-propan-2-yl-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide.
What is the SMILES notation for N-propan-2-yl-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide?
The canonical SMILES for N-propan-2-yl-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide is CC(C)NC(=O)c1cn(-c2cccc(C(F)(F)F)c2)cn1.
What is the InChIKey of N-propan-2-yl-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide?
The InChIKey is RKTQFOSUJDFRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O/c1-9(2)19-13(21)12-7-20(8-18-12)11-5-3-4-10(6-11)14(15,16)17/h3-9H,1-2H3,(H,19,21).
What are the key properties of N-propan-2-yl-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide?
N-propan-2-yl-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide has a molecular weight of 297.28 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide is sourced from PubChem (CID 100816389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).