1-propan-2-yl-2-[[4-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxamide

C19H18F3N3O — CID 135288306

IUPAC1-propan-2-yl-2-[[4-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxamide
SMILESCC(C)n1c(Cc2ccc(C(F)(F)F)cc2)nc2cc(C(N)=O)ccc21
InChIInChI=1S/C19H18F3N3O/c1-11(2)25-16-8-5-13(18(23)26)10-15(16)24-17(25)9-12-3-6-14(7-4-12)19(20,21)22/h3-8,10-11H,9H2,1-2H3,(H2,23,26)
InChIKeyFNKMRLQQYICQHL-UHFFFAOYSA-N
MW361.37 g/mol
LogP4.33
Rot. Bonds4

About 1-propan-2-yl-2-[[4-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxamide

1-propan-2-yl-2-[[4-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxamide (PubChem CID 135288306) has the molecular formula C19H18F3N3O and a molecular weight of 361.37 g/mol. Its IUPAC name is 1-propan-2-yl-2-[[4-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-propan-2-yl-2-[[4-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxamide
PubChem CID135288306
Molecular FormulaC19H18F3N3O
Molecular Weight361.37 g/mol
Exact Mass361.14
IUPAC Name1-propan-2-yl-2-[[4-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxamide
SMILESCC(C)n1c(Cc2ccc(C(F)(F)F)cc2)nc2cc(C(N)=O)ccc21
InChIInChI=1S/C19H18F3N3O/c1-11(2)25-16-8-5-13(18(23)26)10-15(16)24-17(25)9-12-3-6-14(7-4-12)19(20,21)22/h3-8,10-11H,9H2,1-2H3,(H2,23,26)
InChIKeyFNKMRLQQYICQHL-UHFFFAOYSA-N
XLogP4.33
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Benzenecarboximidamide, 4-(((1-methyl-5-(1-(1-pyrrolidinylcarbonyl)cyclopropyl)-1H-benzimidazol-2-yl)methyl)amino)-
CID 9953722
(3S,4S)-3-N-hydroxy-4-N-{4-[(2-methyl-1H-1,3-benzodiazol-1-yl)methyl]benzene}pyrrolidine-3,4-dicarboxamide
CID 10135184
(3S,4S)-3-N-hydroxy-4-N-(4-{[2-(propan-2-yl)-1H-1,3-benzodiazol-1-yl]methyl}benzene)pyrrolidine-3,4-dicarboxamide
CID 10295733

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-2-[[4-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxamide?
The IUPAC name of 1-propan-2-yl-2-[[4-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxamide (CID 135288306) is 1-propan-2-yl-2-[[4-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxamide.
What is the SMILES notation for 1-propan-2-yl-2-[[4-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxamide?
The canonical SMILES for 1-propan-2-yl-2-[[4-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxamide is CC(C)n1c(Cc2ccc(C(F)(F)F)cc2)nc2cc(C(N)=O)ccc21.
What is the InChIKey of 1-propan-2-yl-2-[[4-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxamide?
The InChIKey is FNKMRLQQYICQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O/c1-11(2)25-16-8-5-13(18(23)26)10-15(16)24-17(25)9-12-3-6-14(7-4-12)19(20,21)22/h3-8,10-11H,9H2,1-2H3,(H2,23,26).
What are the key properties of 1-propan-2-yl-2-[[4-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxamide?
1-propan-2-yl-2-[[4-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxamide has a molecular weight of 361.37 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-2-[[4-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 135288306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).