N-benzyl-N-methyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]butan-1-amine

C20H22F3N3 — CID 71635073

IUPACN-benzyl-N-methyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]butan-1-amine
SMILESCCC(CN(C)Cc1ccccc1)n1c(C(F)(F)F)nc2ccccc21
InChIInChI=1S/C20H22F3N3/c1-3-16(14-25(2)13-15-9-5-4-6-10-15)26-18-12-8-7-11-17(18)24-19(26)20(21,22)23/h4-12,16H,3,13-14H2,1-2H3
InChIKeyGFONJQXIRKMDBG-UHFFFAOYSA-N
MW361.41 g/mol
LogP5.14
Rot. Bonds6

About N-benzyl-N-methyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]butan-1-amine

N-benzyl-N-methyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]butan-1-amine (PubChem CID 71635073) has the molecular formula C20H22F3N3 and a molecular weight of 361.41 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]butan-1-amine.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]butan-1-amine
PubChem CID71635073
Molecular FormulaC20H22F3N3
Molecular Weight361.41 g/mol
Exact Mass361.18
IUPAC NameN-benzyl-N-methyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]butan-1-amine
SMILESCCC(CN(C)Cc1ccccc1)n1c(C(F)(F)F)nc2ccccc21
InChIInChI=1S/C20H22F3N3/c1-3-16(14-25(2)13-15-9-5-4-6-10-15)26-18-12-8-7-11-17(18)24-19(26)20(21,22)23/h4-12,16H,3,13-14H2,1-2H3
InChIKeyGFONJQXIRKMDBG-UHFFFAOYSA-N
XLogP5.14
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.41
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(trifluoromethyl)benzimidazol-1-yl]butanoic acid
CID 646477
1-propan-2-yl-2-(trifluoromethyl)benzimidazole
CID 888592
1-[[4-(2-ethoxyethoxy)phenyl]methyl-methylamino]-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol
CID 132779489
(2R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl-methylamino]-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol
CID 129457241
N-[2-[benzyl(methyl)amino]ethyl]-2-[2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]propanamide
CID 46284789
1-pentan-3-yl-2-(trifluoromethyl)benzimidazole-4-carboxylic acid
CID 115542985
3-[benzyl(methyl)amino]-1,1,1-trifluoropropan-2-ol
CID 2765888
(2R)-1-[methyl-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]amino]-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol
CID 129458634
1-[2-[4-[[[(2R)-2-hydroxy-3-[2-(trifluoromethyl)benzimidazol-1-yl]propyl]-methylamino]methyl]phenoxy]ethyl]pyrrolidin-2-one
CID 129456461
1-(3-phenylpropyl)-2-(trifluoromethyl)benzimidazole
CID 16996767
N-methyl-1-phenyl-N-[(1-propylbenzimidazol-2-yl)methyl]methanamine;hydrochloride
CID 171151744
1-butyl-2-(trifluoromethyl)benzimidazole
CID 3746789

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]butan-1-amine?
The IUPAC name of N-benzyl-N-methyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]butan-1-amine (CID 71635073) is N-benzyl-N-methyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]butan-1-amine.
What is the SMILES notation for N-benzyl-N-methyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]butan-1-amine?
The canonical SMILES for N-benzyl-N-methyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]butan-1-amine is CCC(CN(C)Cc1ccccc1)n1c(C(F)(F)F)nc2ccccc21.
What is the InChIKey of N-benzyl-N-methyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]butan-1-amine?
The InChIKey is GFONJQXIRKMDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3/c1-3-16(14-25(2)13-15-9-5-4-6-10-15)26-18-12-8-7-11-17(18)24-19(26)20(21,22)23/h4-12,16H,3,13-14H2,1-2H3.
What are the key properties of N-benzyl-N-methyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]butan-1-amine?
N-benzyl-N-methyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]butan-1-amine has a molecular weight of 361.41 g/mol, XLogP of 5.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]butan-1-amine is sourced from PubChem (CID 71635073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).