1-propan-2-yl-N-quinolin-7-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide

C21H17F3N4O — CID 11486345

IUPAC1-propan-2-yl-N-quinolin-7-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide
SMILESCC(C)n1c(C(F)(F)F)nc2cc(C(=O)Nc3ccc4cccnc4c3)ccc21
InChIInChI=1S/C21H17F3N4O/c1-12(2)28-18-8-6-14(10-17(18)27-20(28)21(22,23)24)19(29)26-15-7-5-13-4-3-9-25-16(13)11-15/h3-12H,1-2H3,(H,26,29)
InChIKeyWDNMDEPZFFEYJO-UHFFFAOYSA-N
MW398.39 g/mol
LogP5.44
Rot. Bonds3

About 1-propan-2-yl-N-quinolin-7-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide

1-propan-2-yl-N-quinolin-7-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide (PubChem CID 11486345) has the molecular formula C21H17F3N4O and a molecular weight of 398.39 g/mol. Its IUPAC name is 1-propan-2-yl-N-quinolin-7-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-propan-2-yl-N-quinolin-7-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide
PubChem CID11486345
Molecular FormulaC21H17F3N4O
Molecular Weight398.39 g/mol
Exact Mass398.14
IUPAC Name1-propan-2-yl-N-quinolin-7-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide
SMILESCC(C)n1c(C(F)(F)F)nc2cc(C(=O)Nc3ccc4cccnc4c3)ccc21
InChIInChI=1S/C21H17F3N4O/c1-12(2)28-18-8-6-14(10-17(18)27-20(28)21(22,23)24)19(29)26-15-7-5-13-4-3-9-25-16(13)11-15/h3-12H,1-2H3,(H,26,29)
InChIKeyWDNMDEPZFFEYJO-UHFFFAOYSA-N
XLogP5.44
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.39
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylcarbamoyl)phenyl]-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide
CID 86955511
N-[3-chloro-4-(trifluoromethyl)phenyl]quinoline-7-carboxamide
CID 162607907
N-[4-chloro-3-(trifluoromethyl)phenyl]quinoline-7-carboxamide
CID 142343699
N-(5-amino-2-methylphenyl)-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide
CID 120568854
2-methyl-2-[[1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carbonyl]amino]butanoic acid
CID 119198889
N-(3,4-dichlorophenyl)quinoline-7-carboxamide
CID 142343714
N-(2-cyanopropyl)-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide
CID 56791222
1-propan-2-yl-N-[2-(1,3-thiazol-2-yl)propyl]-2-(trifluoromethyl)benzimidazole-5-carboxamide
CID 166211006
N-(1-amino-4-methylpentan-2-yl)-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide
CID 119585546
5-[[1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carbonyl]amino]pentanoic acid
CID 119234163
N-[1-(1-hydroxypropan-2-yl)-2-(trifluoromethyl)benzimidazol-5-yl]prop-2-enamide
CID 166414496
N-[4-fluoro-3-(methylsulfamoyl)phenyl]quinoline-7-carboxamide
CID 142343698

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-N-quinolin-7-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide?
The IUPAC name of 1-propan-2-yl-N-quinolin-7-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide (CID 11486345) is 1-propan-2-yl-N-quinolin-7-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide.
What is the SMILES notation for 1-propan-2-yl-N-quinolin-7-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide?
The canonical SMILES for 1-propan-2-yl-N-quinolin-7-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide is CC(C)n1c(C(F)(F)F)nc2cc(C(=O)Nc3ccc4cccnc4c3)ccc21.
What is the InChIKey of 1-propan-2-yl-N-quinolin-7-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide?
The InChIKey is WDNMDEPZFFEYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N4O/c1-12(2)28-18-8-6-14(10-17(18)27-20(28)21(22,23)24)19(29)26-15-7-5-13-4-3-9-25-16(13)11-15/h3-12H,1-2H3,(H,26,29).
What are the key properties of 1-propan-2-yl-N-quinolin-7-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide?
1-propan-2-yl-N-quinolin-7-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide has a molecular weight of 398.39 g/mol, XLogP of 5.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-N-quinolin-7-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 11486345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).