N-piperidin-3-yl-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide

C17H21F3N4O — CID 119424364

IUPACN-piperidin-3-yl-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide
SMILESCC(C)n1c(C(F)(F)F)nc2cc(C(=O)NC3CCCNC3)ccc21
InChIInChI=1S/C17H21F3N4O/c1-10(2)24-14-6-5-11(8-13(14)23-16(24)17(18,19)20)15(25)22-12-4-3-7-21-9-12/h5-6,8,10,12,21H,3-4,7,9H2,1-2H3,(H,22,25)
InChIKeyOBYUCTMYMVHFHM-UHFFFAOYSA-N
MW354.38 g/mol
LogP3.12
Rot. Bonds3

About N-piperidin-3-yl-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide

N-piperidin-3-yl-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide (PubChem CID 119424364) has the molecular formula C17H21F3N4O and a molecular weight of 354.38 g/mol. Its IUPAC name is N-piperidin-3-yl-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-piperidin-3-yl-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide
PubChem CID119424364
Molecular FormulaC17H21F3N4O
Molecular Weight354.38 g/mol
Exact Mass354.17
IUPAC NameN-piperidin-3-yl-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide
SMILESCC(C)n1c(C(F)(F)F)nc2cc(C(=O)NC3CCCNC3)ccc21
InChIInChI=1S/C17H21F3N4O/c1-10(2)24-14-6-5-11(8-13(14)23-16(24)17(18,19)20)15(25)22-12-4-3-7-21-9-12/h5-6,8,10,12,21H,3-4,7,9H2,1-2H3,(H,22,25)
InChIKeyOBYUCTMYMVHFHM-UHFFFAOYSA-N
XLogP3.12
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-propan-2-yl-N-(2-pyrrolidin-3-ylethyl)-2-(trifluoromethyl)benzimidazole-5-carboxamide;dihydrochloride
CID 119533539
N-[2-(aminomethyl)cyclohexyl]-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide
CID 119609318
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[1-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]methanone;dihydrochloride
CID 120659671
N-(1-amino-2-cyclopropylpropan-2-yl)-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide
CID 119572382
N-cyclohexyl-N-methyl-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide
CID 58646263
5-[[1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carbonyl]amino]pentanoic acid
CID 119234163
2-methyl-2-[[1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carbonyl]amino]butanoic acid
CID 119198889
(2S)-1-[1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carbonyl]pyrrolidine-2-carboxylic acid
CID 119366163
[(3S)-3-hydroxy-2,2-dimethylpyrrolidin-1-yl]-[1-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]methanone
CID 124726708
[4-(ethylaminomethyl)piperidin-1-yl]-[1-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]methanone
CID 119644305
N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide
CID 99808402
4-fluoro-3-methyl-N-[(3R)-piperidin-3-yl]benzamide
CID 95031837

Frequently Asked Questions

What is the IUPAC name of N-piperidin-3-yl-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide?
The IUPAC name of N-piperidin-3-yl-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide (CID 119424364) is N-piperidin-3-yl-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide.
What is the SMILES notation for N-piperidin-3-yl-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide?
The canonical SMILES for N-piperidin-3-yl-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide is CC(C)n1c(C(F)(F)F)nc2cc(C(=O)NC3CCCNC3)ccc21.
What is the InChIKey of N-piperidin-3-yl-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide?
The InChIKey is OBYUCTMYMVHFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N4O/c1-10(2)24-14-6-5-11(8-13(14)23-16(24)17(18,19)20)15(25)22-12-4-3-7-21-9-12/h5-6,8,10,12,21H,3-4,7,9H2,1-2H3,(H,22,25).
What are the key properties of N-piperidin-3-yl-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide?
N-piperidin-3-yl-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide has a molecular weight of 354.38 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-3-yl-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 119424364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).