3-[2-amino-5-(trifluoromethyl)benzimidazol-1-yl]-N-methylpropanamide

C12H13F3N4O — CID 115502066

IUPAC3-[2-amino-5-(trifluoromethyl)benzimidazol-1-yl]-N-methylpropanamide
SMILESCNC(=O)CCn1c(N)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C12H13F3N4O/c1-17-10(20)4-5-19-9-3-2-7(12(13,14)15)6-8(9)18-11(19)16/h2-3,6H,4-5H2,1H3,(H2,16,18)(H,17,20)
InChIKeyQTZYYUFKVOBTQI-UHFFFAOYSA-N
MW286.26 g/mol
LogP1.77
Rot. Bonds3

About 3-[2-amino-5-(trifluoromethyl)benzimidazol-1-yl]-N-methylpropanamide

3-[2-amino-5-(trifluoromethyl)benzimidazol-1-yl]-N-methylpropanamide (PubChem CID 115502066) has the molecular formula C12H13F3N4O and a molecular weight of 286.26 g/mol. Its IUPAC name is 3-[2-amino-5-(trifluoromethyl)benzimidazol-1-yl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[2-amino-5-(trifluoromethyl)benzimidazol-1-yl]-N-methylpropanamide
PubChem CID115502066
Molecular FormulaC12H13F3N4O
Molecular Weight286.26 g/mol
Exact Mass286.10
IUPAC Name3-[2-amino-5-(trifluoromethyl)benzimidazol-1-yl]-N-methylpropanamide
SMILESCNC(=O)CCn1c(N)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C12H13F3N4O/c1-17-10(20)4-5-19-9-3-2-7(12(13,14)15)6-8(9)18-11(19)16/h2-3,6H,4-5H2,1H3,(H2,16,18)(H,17,20)
InChIKeyQTZYYUFKVOBTQI-UHFFFAOYSA-N
XLogP1.77
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-butyl-5-(trifluoromethyl)benzimidazol-2-amine
CID 115501979
3-(2-amino-6-bromo-5-fluorobenzimidazol-1-yl)-N-methylpropanamide
CID 116738268
1-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)benzimidazol-2-amine
CID 115502072
1-[[4-(dimethylamino)phenyl]methyl]-5-(trifluoromethyl)benzimidazol-2-amine
CID 18522078
1-[(5-methylfuran-2-yl)methyl]-5-(trifluoromethyl)benzimidazol-2-amine
CID 115502083
1-[2-(oxolan-2-yl)ethyl]-5-(trifluoromethyl)benzimidazol-2-amine
CID 115502056
5-[[2-amino-5-(trifluoromethyl)benzimidazol-1-yl]methyl]pyrrolidin-2-one
CID 115502117
1-pentan-3-yl-5-(trifluoromethyl)benzimidazol-2-amine
CID 115501988
1-[(4-phenylphenyl)methyl]-5-(trifluoromethyl)benzimidazol-2-amine
CID 19390948
N-[2-amino-1-(3-amino-3-oxopropyl)benzimidazol-5-yl]butanamide
CID 123952258
3-(2-amino-5-chlorobenzimidazol-1-yl)propanoic acid
CID 82359358
2-(2-amino-5,6-difluorobenzimidazol-1-yl)-N-methylacetamide
CID 82359191

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-5-(trifluoromethyl)benzimidazol-1-yl]-N-methylpropanamide?
The IUPAC name of 3-[2-amino-5-(trifluoromethyl)benzimidazol-1-yl]-N-methylpropanamide (CID 115502066) is 3-[2-amino-5-(trifluoromethyl)benzimidazol-1-yl]-N-methylpropanamide.
What is the SMILES notation for 3-[2-amino-5-(trifluoromethyl)benzimidazol-1-yl]-N-methylpropanamide?
The canonical SMILES for 3-[2-amino-5-(trifluoromethyl)benzimidazol-1-yl]-N-methylpropanamide is CNC(=O)CCn1c(N)nc2cc(C(F)(F)F)ccc21.
What is the InChIKey of 3-[2-amino-5-(trifluoromethyl)benzimidazol-1-yl]-N-methylpropanamide?
The InChIKey is QTZYYUFKVOBTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4O/c1-17-10(20)4-5-19-9-3-2-7(12(13,14)15)6-8(9)18-11(19)16/h2-3,6H,4-5H2,1H3,(H2,16,18)(H,17,20).
What are the key properties of 3-[2-amino-5-(trifluoromethyl)benzimidazol-1-yl]-N-methylpropanamide?
3-[2-amino-5-(trifluoromethyl)benzimidazol-1-yl]-N-methylpropanamide has a molecular weight of 286.26 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-5-(trifluoromethyl)benzimidazol-1-yl]-N-methylpropanamide is sourced from PubChem (CID 115502066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).