N-methyl-1-(1-methyl-2-phenylbenzimidazol-5-yl)ethanamine

C17H19N3 — CID 82501622

IUPACN-methyl-1-(1-methyl-2-phenylbenzimidazol-5-yl)ethanamine
SMILESCNC(C)c1ccc2c(c1)nc(-c1ccccc1)n2C
InChIInChI=1S/C17H19N3/c1-12(18-2)14-9-10-16-15(11-14)19-17(20(16)3)13-7-5-4-6-8-13/h4-12,18H,1-3H3
InChIKeyKOIVGDVQZOEHGZ-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.52
Rot. Bonds3

About N-methyl-1-(1-methyl-2-phenylbenzimidazol-5-yl)ethanamine

N-methyl-1-(1-methyl-2-phenylbenzimidazol-5-yl)ethanamine (PubChem CID 82501622) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-methyl-1-(1-methyl-2-phenylbenzimidazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-methyl-1-(1-methyl-2-phenylbenzimidazol-5-yl)ethanamine
PubChem CID82501622
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC NameN-methyl-1-(1-methyl-2-phenylbenzimidazol-5-yl)ethanamine
SMILESCNC(C)c1ccc2c(c1)nc(-c1ccccc1)n2C
InChIInChI=1S/C17H19N3/c1-12(18-2)14-9-10-16-15(11-14)19-17(20(16)3)13-7-5-4-6-8-13/h4-12,18H,1-3H3
InChIKeyKOIVGDVQZOEHGZ-UHFFFAOYSA-N
XLogP3.52
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethyl-2-methylbenzimidazol-5-yl)-N-methylethanamine
CID 82493448
2-(4-chlorophenyl)-5-(1-methoxyethyl)-1-methylbenzimidazole
CID 10447564
1-(1-cyclopropyl-2-methylbenzimidazol-5-yl)-N-methylethanamine
CID 82495003
1-(1,2-dimethylbenzimidazol-5-yl)-1-N-methylpropane-1,2-diamine
CID 116948132
6-chloro-1-methyl-2-phenylbenzimidazole
CID 12738431
1,5-dimethyl-2-phenylbenzimidazole;2-phenyl-1-(2-phenylphenyl)benzimidazole
CID 143996079
(1R)-1-[4-(benzimidazol-1-yl)phenyl]-N-methylethanamine
CID 25323496
1-(2,4-dimethylquinolin-6-yl)-N-methylethanamine
CID 105468040
1-methyl-2-[6-(1-methylbenzimidazol-2-yl)-4-phenyl-2-pyridinyl]benzimidazole
CID 15804948
1-methyl-2-[4-[(1S)-1-morpholin-4-ylethyl]phenyl]benzimidazole-5-carboxylic acid
CID 125446663
1-(1,2-dimethylbenzimidazol-5-yl)-N,2-dimethylbutane-1,4-diamine
CID 116949624
3-(1,2-dimethylbenzimidazol-5-yl)-3-(methylamino)propan-1-ol
CID 116952870

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-methyl-2-phenylbenzimidazol-5-yl)ethanamine?
The IUPAC name of N-methyl-1-(1-methyl-2-phenylbenzimidazol-5-yl)ethanamine (CID 82501622) is N-methyl-1-(1-methyl-2-phenylbenzimidazol-5-yl)ethanamine.
What is the SMILES notation for N-methyl-1-(1-methyl-2-phenylbenzimidazol-5-yl)ethanamine?
The canonical SMILES for N-methyl-1-(1-methyl-2-phenylbenzimidazol-5-yl)ethanamine is CNC(C)c1ccc2c(c1)nc(-c1ccccc1)n2C.
What is the InChIKey of N-methyl-1-(1-methyl-2-phenylbenzimidazol-5-yl)ethanamine?
The InChIKey is KOIVGDVQZOEHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-12(18-2)14-9-10-16-15(11-14)19-17(20(16)3)13-7-5-4-6-8-13/h4-12,18H,1-3H3.
What are the key properties of N-methyl-1-(1-methyl-2-phenylbenzimidazol-5-yl)ethanamine?
N-methyl-1-(1-methyl-2-phenylbenzimidazol-5-yl)ethanamine has a molecular weight of 265.36 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-methyl-2-phenylbenzimidazol-5-yl)ethanamine is sourced from PubChem (CID 82501622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).