[4-(benzimidazol-1-yl)-3-methoxyphenyl]methanamine

C15H15N3O — CID 141496623

IUPAC[4-(benzimidazol-1-yl)-3-methoxyphenyl]methanamine
SMILESCOc1cc(CN)ccc1-n1cnc2ccccc21
InChIInChI=1S/C15H15N3O/c1-19-15-8-11(9-16)6-7-14(15)18-10-17-12-4-2-3-5-13(12)18/h2-8,10H,9,16H2,1H3
InChIKeyWNXJFWXLMKXFNM-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.49
Rot. Bonds3

About [4-(benzimidazol-1-yl)-3-methoxyphenyl]methanamine

[4-(benzimidazol-1-yl)-3-methoxyphenyl]methanamine (PubChem CID 141496623) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is [4-(benzimidazol-1-yl)-3-methoxyphenyl]methanamine.

Molecular Properties

Compound Name[4-(benzimidazol-1-yl)-3-methoxyphenyl]methanamine
PubChem CID141496623
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name[4-(benzimidazol-1-yl)-3-methoxyphenyl]methanamine
SMILESCOc1cc(CN)ccc1-n1cnc2ccccc21
InChIInChI=1S/C15H15N3O/c1-19-15-8-11(9-16)6-7-14(15)18-10-17-12-4-2-3-5-13(12)18/h2-8,10H,9,16H2,1H3
InChIKeyWNXJFWXLMKXFNM-UHFFFAOYSA-N
XLogP2.49
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(benzimidazol-1-ylmethyl)-4-methoxyphenyl]methanamine
CID 62016875
[2-(benzimidazol-1-yl)-4-methoxyphenyl]methanamine
CID 81299090
2-[4-(benzimidazol-1-yl)-3-methylphenyl]ethanamine
CID 63815534
[3-methoxy-4-(2-methylimidazol-1-yl)phenyl]methanamine
CID 84682959
[4-(5,6-dimethoxybenzimidazol-1-yl)phenyl]methanamine
CID 22693579
[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methanamine
CID 68592145
4-(benzimidazol-1-yl)-2-methoxyaniline
CID 63676519
[2-(benzimidazol-1-yl)phenyl]methanamine;hydrochloride
CID 75529767
2-(benzimidazol-1-yl)-N-[(4-methoxyphenyl)methyl]aniline
CID 118867936
N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 134004746
1-(2-ethylphenyl)benzimidazole
CID 22078308
4-(benzimidazol-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbenzamide
CID 18111635

Frequently Asked Questions

What is the IUPAC name of [4-(benzimidazol-1-yl)-3-methoxyphenyl]methanamine?
The IUPAC name of [4-(benzimidazol-1-yl)-3-methoxyphenyl]methanamine (CID 141496623) is [4-(benzimidazol-1-yl)-3-methoxyphenyl]methanamine.
What is the SMILES notation for [4-(benzimidazol-1-yl)-3-methoxyphenyl]methanamine?
The canonical SMILES for [4-(benzimidazol-1-yl)-3-methoxyphenyl]methanamine is COc1cc(CN)ccc1-n1cnc2ccccc21.
What is the InChIKey of [4-(benzimidazol-1-yl)-3-methoxyphenyl]methanamine?
The InChIKey is WNXJFWXLMKXFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-19-15-8-11(9-16)6-7-14(15)18-10-17-12-4-2-3-5-13(12)18/h2-8,10H,9,16H2,1H3.
What are the key properties of [4-(benzimidazol-1-yl)-3-methoxyphenyl]methanamine?
[4-(benzimidazol-1-yl)-3-methoxyphenyl]methanamine has a molecular weight of 253.31 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzimidazol-1-yl)-3-methoxyphenyl]methanamine is sourced from PubChem (CID 141496623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).