1-phenyl-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]imidazole-4-carboxamide

C21H18F3N3O — CID 154850034

IUPAC1-phenyl-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]imidazole-4-carboxamide
SMILESO=C(NCC1(c2cccc(C(F)(F)F)c2)CC1)c1cn(-c2ccccc2)cn1
InChIInChI=1S/C21H18F3N3O/c22-21(23,24)16-6-4-5-15(11-16)20(9-10-20)13-25-19(28)18-12-27(14-26-18)17-7-2-1-3-8-17/h1-8,11-12,14H,9-10,13H2,(H,25,28)
InChIKeyHZNGBIJAEDWVAZ-UHFFFAOYSA-N
MW385.39 g/mol
LogP4.35
Rot. Bonds5

About 1-phenyl-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]imidazole-4-carboxamide

1-phenyl-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]imidazole-4-carboxamide (PubChem CID 154850034) has the molecular formula C21H18F3N3O and a molecular weight of 385.39 g/mol. Its IUPAC name is 1-phenyl-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-phenyl-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]imidazole-4-carboxamide
PubChem CID154850034
Molecular FormulaC21H18F3N3O
Molecular Weight385.39 g/mol
Exact Mass385.14
IUPAC Name1-phenyl-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]imidazole-4-carboxamide
SMILESO=C(NCC1(c2cccc(C(F)(F)F)c2)CC1)c1cn(-c2ccccc2)cn1
InChIInChI=1S/C21H18F3N3O/c22-21(23,24)16-6-4-5-15(11-16)20(9-10-20)13-25-19(28)18-12-27(14-26-18)17-7-2-1-3-8-17/h1-8,11-12,14H,9-10,13H2,(H,25,28)
InChIKeyHZNGBIJAEDWVAZ-UHFFFAOYSA-N
XLogP4.35
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.39
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide
CID 100816156
N-ethyl-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide
CID 100819634
N-(benzenesulfonyl)-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide
CID 139453020
3-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]benzamide;hydrochloride
CID 119772767
N-[(1-phenylcyclopropyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 46699763
N-propan-2-yl-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide
CID 100816389
3-methoxy-4-(4-methylimidazol-1-yl)-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]benzamide
CID 66791241
2-(2-methoxyethylamino)-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]acetamide
CID 119772784
2-(aminomethyl)-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119752294
N-[[1-(N'-cyanocarbamimidoyl)-4-[3-(trifluoromethyl)phenyl]piperidin-4-yl]methyl]pyrazine-2-carboxamide
CID 142821711
3-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]butanamide
CID 119772778
1-[(1-methylpyrazol-4-yl)methyl]-3-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]urea
CID 47955967

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]imidazole-4-carboxamide?
The IUPAC name of 1-phenyl-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]imidazole-4-carboxamide (CID 154850034) is 1-phenyl-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]imidazole-4-carboxamide.
What is the SMILES notation for 1-phenyl-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]imidazole-4-carboxamide?
The canonical SMILES for 1-phenyl-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]imidazole-4-carboxamide is O=C(NCC1(c2cccc(C(F)(F)F)c2)CC1)c1cn(-c2ccccc2)cn1.
What is the InChIKey of 1-phenyl-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]imidazole-4-carboxamide?
The InChIKey is HZNGBIJAEDWVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N3O/c22-21(23,24)16-6-4-5-15(11-16)20(9-10-20)13-25-19(28)18-12-27(14-26-18)17-7-2-1-3-8-17/h1-8,11-12,14H,9-10,13H2,(H,25,28).
What are the key properties of 1-phenyl-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]imidazole-4-carboxamide?
1-phenyl-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]imidazole-4-carboxamide has a molecular weight of 385.39 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]imidazole-4-carboxamide is sourced from PubChem (CID 154850034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).