N-methyl-1-[1-(oxolan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]methanamine

C15H18F3N3O — CID 46310132

IUPACN-methyl-1-[1-(oxolan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]methanamine
SMILESCNCc1nc2cc(C(F)(F)F)ccc2n1CC1CCCO1
InChIInChI=1S/C15H18F3N3O/c1-19-8-14-20-12-7-10(15(16,17)18)4-5-13(12)21(14)9-11-3-2-6-22-11/h4-5,7,11,19H,2-3,6,8-9H2,1H3
InChIKeyZEFYVXXDXAJXSQ-UHFFFAOYSA-N
MW313.32 g/mol
LogP2.95
Rot. Bonds4

About N-methyl-1-[1-(oxolan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]methanamine

N-methyl-1-[1-(oxolan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]methanamine (PubChem CID 46310132) has the molecular formula C15H18F3N3O and a molecular weight of 313.32 g/mol. Its IUPAC name is N-methyl-1-[1-(oxolan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(oxolan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]methanamine
PubChem CID46310132
Molecular FormulaC15H18F3N3O
Molecular Weight313.32 g/mol
Exact Mass313.14
IUPAC NameN-methyl-1-[1-(oxolan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]methanamine
SMILESCNCc1nc2cc(C(F)(F)F)ccc2n1CC1CCCO1
InChIInChI=1S/C15H18F3N3O/c1-19-8-14-20-12-7-10(15(16,17)18)4-5-13(12)21(14)9-11-3-2-6-22-11/h4-5,7,11,19H,2-3,6,8-9H2,1H3
InChIKeyZEFYVXXDXAJXSQ-UHFFFAOYSA-N
XLogP2.95
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(oxolan-2-ylmethyl)-2-[[[3-(trifluoromethyl)benzoyl]amino]methyl]benzimidazole-5-carboxylic acid
CID 42817371
1-[2-(oxolan-2-yl)ethyl]-5-(trifluoromethyl)benzimidazol-2-amine
CID 115502056
2-(2,2-dimethylpropyl)-5-ethylsulfonyl-1-(oxolan-2-ylmethyl)benzimidazole
CID 11674994
methyl 2-(chloromethyl)-1-[[(2S)-oxolan-2-yl]methyl]benzimidazole-5-carboxylate
CID 175589218
1-(oxolan-2-ylmethyl)-2-[2-(propanoylamino)ethyl]benzimidazole-5-carboxylic acid
CID 42817394
2-[(4-ethoxyphenyl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]-N,N-bis(2,2,2-trifluoroethyl)benzimidazole-5-carboxamide
CID 10098873
N-[[1-methyl-5-(trifluoromethyl)benzimidazol-2-yl]methyl]cyclopropanamine
CID 80711654
5-chloro-2-methyl-1-(oxolan-2-ylmethyl)benzimidazole
CID 46310061
2-(chloromethyl)-1-(oxolan-2-ylmethyl)benzimidazole
CID 43149486
N,N-diethyl-1-[[(2R)-oxolan-2-yl]methyl]-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]benzimidazole-5-sulfonamide
CID 92818845
5-chloro-2-[(4-chlorophenoxy)methyl]-1-(oxolan-2-ylmethyl)benzimidazole
CID 46310104
2-[[[2-(3-chlorophenyl)acetyl]amino]methyl]-1-(oxolan-2-ylmethyl)benzimidazole-5-carboxylic acid
CID 42817367

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(oxolan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]methanamine?
The IUPAC name of N-methyl-1-[1-(oxolan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]methanamine (CID 46310132) is N-methyl-1-[1-(oxolan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(oxolan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-(oxolan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]methanamine is CNCc1nc2cc(C(F)(F)F)ccc2n1CC1CCCO1.
What is the InChIKey of N-methyl-1-[1-(oxolan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]methanamine?
The InChIKey is ZEFYVXXDXAJXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O/c1-19-8-14-20-12-7-10(15(16,17)18)4-5-13(12)21(14)9-11-3-2-6-22-11/h4-5,7,11,19H,2-3,6,8-9H2,1H3.
What are the key properties of N-methyl-1-[1-(oxolan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]methanamine?
N-methyl-1-[1-(oxolan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]methanamine has a molecular weight of 313.32 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(oxolan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]methanamine is sourced from PubChem (CID 46310132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).