[2-(5,6-dimethylbenzimidazol-1-yl)-4-methylphenyl]methanamine

C17H19N3 — CID 62306759

IUPAC[2-(5,6-dimethylbenzimidazol-1-yl)-4-methylphenyl]methanamine
SMILESCc1ccc(CN)c(-n2cnc3cc(C)c(C)cc32)c1
InChIInChI=1S/C17H19N3/c1-11-4-5-14(9-18)16(6-11)20-10-19-15-7-12(2)13(3)8-17(15)20/h4-8,10H,9,18H2,1-3H3
InChIKeyCTGJHPYHASOJEX-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.41
Rot. Bonds2

About [2-(5,6-dimethylbenzimidazol-1-yl)-4-methylphenyl]methanamine

[2-(5,6-dimethylbenzimidazol-1-yl)-4-methylphenyl]methanamine (PubChem CID 62306759) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is [2-(5,6-dimethylbenzimidazol-1-yl)-4-methylphenyl]methanamine.

Molecular Properties

Compound Name[2-(5,6-dimethylbenzimidazol-1-yl)-4-methylphenyl]methanamine
PubChem CID62306759
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name[2-(5,6-dimethylbenzimidazol-1-yl)-4-methylphenyl]methanamine
SMILESCc1ccc(CN)c(-n2cnc3cc(C)c(C)cc32)c1
InChIInChI=1S/C17H19N3/c1-11-4-5-14(9-18)16(6-11)20-10-19-15-7-12(2)13(3)8-17(15)20/h4-8,10H,9,18H2,1-3H3
InChIKeyCTGJHPYHASOJEX-UHFFFAOYSA-N
XLogP3.41
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-chloro-2-(5,6-dimethylbenzimidazol-1-yl)phenyl]methanamine
CID 62492660
2-[3-chloro-4-(5,6-dimethylbenzimidazol-1-yl)phenyl]ethanamine
CID 81159919
[2-(benzimidazol-1-yl)-4-methoxyphenyl]methanamine
CID 81299090
1-[3,5-bis(5,6-dimethylbenzimidazol-1-yl)-2,4,6-trimethylphenyl]-5,6-dimethylbenzimidazole
CID 122202423
1-[2-chloro-4-(chloromethyl)phenyl]-5,6-dimethylbenzimidazole
CID 81152281
1-(3-bromo-4-pyridinyl)-5,6-dimethylbenzimidazole
CID 104778657
3-(difluoromethyl)-4-(5,6-dimethylbenzimidazol-1-yl)aniline
CID 63735663
1-[4-(bromomethyl)-2-chlorophenyl]-5,6-dimethylbenzimidazole
CID 107085713
1-[6-(chloromethyl)pyridazin-3-yl]-5,6-dimethylbenzimidazole
CID 61257451
4-chloro-2-(5,6-dimethylbenzimidazol-1-yl)benzaldehyde
CID 114844606
6-(5,6-dimethylbenzimidazol-1-yl)-5-ethylpyrimidin-4-amine
CID 80853057
4-bromo-2-(5,6-dimethylbenzimidazol-1-yl)-5-fluoroaniline
CID 116736349

Frequently Asked Questions

What is the IUPAC name of [2-(5,6-dimethylbenzimidazol-1-yl)-4-methylphenyl]methanamine?
The IUPAC name of [2-(5,6-dimethylbenzimidazol-1-yl)-4-methylphenyl]methanamine (CID 62306759) is [2-(5,6-dimethylbenzimidazol-1-yl)-4-methylphenyl]methanamine.
What is the SMILES notation for [2-(5,6-dimethylbenzimidazol-1-yl)-4-methylphenyl]methanamine?
The canonical SMILES for [2-(5,6-dimethylbenzimidazol-1-yl)-4-methylphenyl]methanamine is Cc1ccc(CN)c(-n2cnc3cc(C)c(C)cc32)c1.
What is the InChIKey of [2-(5,6-dimethylbenzimidazol-1-yl)-4-methylphenyl]methanamine?
The InChIKey is CTGJHPYHASOJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-11-4-5-14(9-18)16(6-11)20-10-19-15-7-12(2)13(3)8-17(15)20/h4-8,10H,9,18H2,1-3H3.
What are the key properties of [2-(5,6-dimethylbenzimidazol-1-yl)-4-methylphenyl]methanamine?
[2-(5,6-dimethylbenzimidazol-1-yl)-4-methylphenyl]methanamine has a molecular weight of 265.36 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5,6-dimethylbenzimidazol-1-yl)-4-methylphenyl]methanamine is sourced from PubChem (CID 62306759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).