N-methyl-1-(2-methylbutyl)-2-(trifluoromethyl)benzimidazol-5-amine

C14H18F3N3 — CID 143204096

IUPACN-methyl-1-(2-methylbutyl)-2-(trifluoromethyl)benzimidazol-5-amine
SMILESCCC(C)Cn1c(C(F)(F)F)nc2cc(NC)ccc21
InChIInChI=1S/C14H18F3N3/c1-4-9(2)8-20-12-6-5-10(18-3)7-11(12)19-13(20)14(15,16)17/h5-7,9,18H,4,8H2,1-3H3
InChIKeyZEWKWMXYUGMUBU-UHFFFAOYSA-N
MW285.31 g/mol
LogP4.14
Rot. Bonds4

About N-methyl-1-(2-methylbutyl)-2-(trifluoromethyl)benzimidazol-5-amine

N-methyl-1-(2-methylbutyl)-2-(trifluoromethyl)benzimidazol-5-amine (PubChem CID 143204096) has the molecular formula C14H18F3N3 and a molecular weight of 285.31 g/mol. Its IUPAC name is N-methyl-1-(2-methylbutyl)-2-(trifluoromethyl)benzimidazol-5-amine.

Molecular Properties

Compound NameN-methyl-1-(2-methylbutyl)-2-(trifluoromethyl)benzimidazol-5-amine
PubChem CID143204096
Molecular FormulaC14H18F3N3
Molecular Weight285.31 g/mol
Exact Mass285.15
IUPAC NameN-methyl-1-(2-methylbutyl)-2-(trifluoromethyl)benzimidazol-5-amine
SMILESCCC(C)Cn1c(C(F)(F)F)nc2cc(NC)ccc21
InChIInChI=1S/C14H18F3N3/c1-4-9(2)8-20-12-6-5-10(18-3)7-11(12)19-13(20)14(15,16)17/h5-7,9,18H,4,8H2,1-3H3
InChIKeyZEWKWMXYUGMUBU-UHFFFAOYSA-N
XLogP4.14
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butyl-N-methyl-1-(3-methylpentyl)benzimidazol-5-amine
CID 143022115
2-tert-butyl-1-ethyl-N-methylbenzimidazol-5-amine
CID 143022253
N-[4-[methyl-[1-(2-methylpropyl)-2-(trifluoromethyl)benzimidazol-5-yl]amino]sulfanylphenyl]formamide
CID 143204100
2-[1-(2-methylpropyl)-2-(trifluoromethyl)benzimidazol-5-yl]acetic acid
CID 82142132
N,1-dimethyl-2-(trifluoromethyl)benzimidazol-5-amine;ethane;oxane
CID 143203897
N-methyl-1-(oxan-4-ylmethyl)-2-(trifluoromethyl)benzimidazol-5-amine;N-methyl-N-[1-(oxan-4-ylmethyl)-2-(trifluoromethyl)benzimidazol-5-yl]acetamide
CID 159468711
1-tert-butyl-3-[4-[[1-(4-ethoxy-2-methylbutyl)-2-(trifluoromethyl)benzimidazol-5-yl]-methylamino]sulfanylphenyl]urea
CID 143204083
1-(2,2-difluoroethyl)-2-(trifluoromethyl)benzimidazole-5-carboxylic acid
CID 115408209
4-[5-amino-2-(trifluoromethyl)benzimidazol-1-yl]butan-2-ol
CID 64912559
1-pentyl-2-(trifluoromethyl)benzimidazol-5-amine
CID 55079980
1-[2-[methyl(propan-2-yl)amino]ethyl]-2-(trifluoromethyl)benzimidazol-5-amine
CID 62640262
4-butan-2-yl-N-methyl-3-(trifluoromethyl)aniline
CID 177190079

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methylbutyl)-2-(trifluoromethyl)benzimidazol-5-amine?
The IUPAC name of N-methyl-1-(2-methylbutyl)-2-(trifluoromethyl)benzimidazol-5-amine (CID 143204096) is N-methyl-1-(2-methylbutyl)-2-(trifluoromethyl)benzimidazol-5-amine.
What is the SMILES notation for N-methyl-1-(2-methylbutyl)-2-(trifluoromethyl)benzimidazol-5-amine?
The canonical SMILES for N-methyl-1-(2-methylbutyl)-2-(trifluoromethyl)benzimidazol-5-amine is CCC(C)Cn1c(C(F)(F)F)nc2cc(NC)ccc21.
What is the InChIKey of N-methyl-1-(2-methylbutyl)-2-(trifluoromethyl)benzimidazol-5-amine?
The InChIKey is ZEWKWMXYUGMUBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3/c1-4-9(2)8-20-12-6-5-10(18-3)7-11(12)19-13(20)14(15,16)17/h5-7,9,18H,4,8H2,1-3H3.
What are the key properties of N-methyl-1-(2-methylbutyl)-2-(trifluoromethyl)benzimidazol-5-amine?
N-methyl-1-(2-methylbutyl)-2-(trifluoromethyl)benzimidazol-5-amine has a molecular weight of 285.31 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methylbutyl)-2-(trifluoromethyl)benzimidazol-5-amine is sourced from PubChem (CID 143204096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).