1-butyl-5-(trifluoromethyl)benzimidazol-2-amine

C12H14F3N3 — CID 115501979

IUPAC1-butyl-5-(trifluoromethyl)benzimidazol-2-amine
SMILESCCCCn1c(N)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C12H14F3N3/c1-2-3-6-18-10-5-4-8(12(13,14)15)7-9(10)17-11(18)16/h4-5,7H,2-3,6H2,1H3,(H2,16,17)
InChIKeyBKWLYFZXKIEEDF-UHFFFAOYSA-N
MW257.26 g/mol
LogP3.44
Rot. Bonds3

About 1-butyl-5-(trifluoromethyl)benzimidazol-2-amine

1-butyl-5-(trifluoromethyl)benzimidazol-2-amine (PubChem CID 115501979) has the molecular formula C12H14F3N3 and a molecular weight of 257.26 g/mol. Its IUPAC name is 1-butyl-5-(trifluoromethyl)benzimidazol-2-amine.

Molecular Properties

Compound Name1-butyl-5-(trifluoromethyl)benzimidazol-2-amine
PubChem CID115501979
Molecular FormulaC12H14F3N3
Molecular Weight257.26 g/mol
Exact Mass257.11
IUPAC Name1-butyl-5-(trifluoromethyl)benzimidazol-2-amine
SMILESCCCCn1c(N)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C12H14F3N3/c1-2-3-6-18-10-5-4-8(12(13,14)15)7-9(10)17-11(18)16/h4-5,7H,2-3,6H2,1H3,(H2,16,17)
InChIKeyBKWLYFZXKIEEDF-UHFFFAOYSA-N
XLogP3.44
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-amino-5-(trifluoromethyl)benzimidazol-1-yl]-N-methylpropanamide
CID 115502066
2-amino-1-butylbenzimidazole-5-carboxylic acid
CID 91671806
N-[3-[2-(aminomethyl)-5-(trifluoromethyl)benzimidazol-1-yl]propyl]-N-butylbutan-1-amine
CID 46309723
2-[1-butyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetic acid
CID 7063825
1-[(1-methylpyrazol-4-yl)methyl]-5-(trifluoromethyl)benzimidazol-2-amine
CID 115502072
1-pentan-3-yl-5-(trifluoromethyl)benzimidazol-2-amine
CID 115501988
2-[1-propyl-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine
CID 46310801
1-[(5-methylfuran-2-yl)methyl]-5-(trifluoromethyl)benzimidazol-2-amine
CID 115502083
1-[[4-(dimethylamino)phenyl]methyl]-5-(trifluoromethyl)benzimidazol-2-amine
CID 18522078
N-[3-[2-(3-aminopropyl)-5-(trifluoromethyl)benzimidazol-1-yl]propyl]-N-butylbutan-1-amine
CID 46309733
1-[2-(oxolan-2-yl)ethyl]-5-(trifluoromethyl)benzimidazol-2-amine
CID 115502056
1-pentyl-2-(trifluoromethyl)benzimidazol-5-amine
CID 55079980

Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-(trifluoromethyl)benzimidazol-2-amine?
The IUPAC name of 1-butyl-5-(trifluoromethyl)benzimidazol-2-amine (CID 115501979) is 1-butyl-5-(trifluoromethyl)benzimidazol-2-amine.
What is the SMILES notation for 1-butyl-5-(trifluoromethyl)benzimidazol-2-amine?
The canonical SMILES for 1-butyl-5-(trifluoromethyl)benzimidazol-2-amine is CCCCn1c(N)nc2cc(C(F)(F)F)ccc21.
What is the InChIKey of 1-butyl-5-(trifluoromethyl)benzimidazol-2-amine?
The InChIKey is BKWLYFZXKIEEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3/c1-2-3-6-18-10-5-4-8(12(13,14)15)7-9(10)17-11(18)16/h4-5,7H,2-3,6H2,1H3,(H2,16,17).
What are the key properties of 1-butyl-5-(trifluoromethyl)benzimidazol-2-amine?
1-butyl-5-(trifluoromethyl)benzimidazol-2-amine has a molecular weight of 257.26 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-(trifluoromethyl)benzimidazol-2-amine is sourced from PubChem (CID 115501979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).