[2-(3-methoxy-4-methylphenyl)-3H-benzimidazol-5-yl]methanamine

C16H17N3O — CID 79004525

IUPAC[2-(3-methoxy-4-methylphenyl)-3H-benzimidazol-5-yl]methanamine
SMILESCOc1cc(-c2nc3ccc(CN)cc3[nH]2)ccc1C
InChIInChI=1S/C16H17N3O/c1-10-3-5-12(8-15(10)20-2)16-18-13-6-4-11(9-17)7-14(13)19-16/h3-8H,9,17H2,1-2H3,(H,18,19)
InChIKeyLDYVXBSXKNAEEB-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.01
Rot. Bonds3

About [2-(3-methoxy-4-methylphenyl)-3H-benzimidazol-5-yl]methanamine

[2-(3-methoxy-4-methylphenyl)-3H-benzimidazol-5-yl]methanamine (PubChem CID 79004525) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is [2-(3-methoxy-4-methylphenyl)-3H-benzimidazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(3-methoxy-4-methylphenyl)-3H-benzimidazol-5-yl]methanamine
PubChem CID79004525
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name[2-(3-methoxy-4-methylphenyl)-3H-benzimidazol-5-yl]methanamine
SMILESCOc1cc(-c2nc3ccc(CN)cc3[nH]2)ccc1C
InChIInChI=1S/C16H17N3O/c1-10-3-5-12(8-15(10)20-2)16-18-13-6-4-11(9-17)7-14(13)19-16/h3-8H,9,17H2,1-2H3,(H,18,19)
InChIKeyLDYVXBSXKNAEEB-UHFFFAOYSA-N
XLogP3.01
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-2-(3-methoxy-4-methylphenyl)-1H-benzimidazole
CID 64723120
2-[2-(3,4-dimethylphenyl)-3H-benzimidazol-5-yl]ethanamine
CID 82304182
[2-(3-methylphenyl)-3H-benzimidazol-5-yl]methanamine
CID 79004545
[2-(3,5-dichlorophenyl)-3H-benzimidazol-5-yl]methanamine
CID 79004447
2-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-5,6-dimethyl-1H-benzimidazole
CID 110534214
[2-(3-methylthiophen-2-yl)-3H-benzimidazol-5-yl]methanamine
CID 79004485
[2-(2,3-dimethylphenyl)-3H-benzimidazol-5-yl]methanamine
CID 79004360
[2-(furan-3-yl)-3H-benzimidazol-5-yl]methanamine
CID 79004543
2-(3,4-dimethoxyphenyl)-3H-benzimidazol-5-ol
CID 81432333
[2-(4-bromo-2-methylphenyl)-3H-benzimidazol-5-yl]methanamine
CID 79004404
2-[3-methoxy-4-[(2,4,5-trimethylphenyl)methoxy]phenyl]-6-methyl-1H-benzimidazole
CID 19224663
2-(3-methoxy-4-phenylmethoxyphenyl)-5,6-dimethyl-1H-benzimidazole
CID 110535216

Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxy-4-methylphenyl)-3H-benzimidazol-5-yl]methanamine?
The IUPAC name of [2-(3-methoxy-4-methylphenyl)-3H-benzimidazol-5-yl]methanamine (CID 79004525) is [2-(3-methoxy-4-methylphenyl)-3H-benzimidazol-5-yl]methanamine.
What is the SMILES notation for [2-(3-methoxy-4-methylphenyl)-3H-benzimidazol-5-yl]methanamine?
The canonical SMILES for [2-(3-methoxy-4-methylphenyl)-3H-benzimidazol-5-yl]methanamine is COc1cc(-c2nc3ccc(CN)cc3[nH]2)ccc1C.
What is the InChIKey of [2-(3-methoxy-4-methylphenyl)-3H-benzimidazol-5-yl]methanamine?
The InChIKey is LDYVXBSXKNAEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-10-3-5-12(8-15(10)20-2)16-18-13-6-4-11(9-17)7-14(13)19-16/h3-8H,9,17H2,1-2H3,(H,18,19).
What are the key properties of [2-(3-methoxy-4-methylphenyl)-3H-benzimidazol-5-yl]methanamine?
[2-(3-methoxy-4-methylphenyl)-3H-benzimidazol-5-yl]methanamine has a molecular weight of 267.33 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxy-4-methylphenyl)-3H-benzimidazol-5-yl]methanamine is sourced from PubChem (CID 79004525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).