4-(benzimidazol-1-yl)-2-methoxyaniline

C14H13N3O — CID 63676519

IUPAC4-(benzimidazol-1-yl)-2-methoxyaniline
SMILESCOc1cc(-n2cnc3ccccc32)ccc1N
InChIInChI=1S/C14H13N3O/c1-18-14-8-10(6-7-11(14)15)17-9-16-12-4-2-3-5-13(12)17/h2-9H,15H2,1H3
InChIKeyTYJWBAXLHHGBQK-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.62
Rot. Bonds2

About 4-(benzimidazol-1-yl)-2-methoxyaniline

4-(benzimidazol-1-yl)-2-methoxyaniline (PubChem CID 63676519) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 4-(benzimidazol-1-yl)-2-methoxyaniline.

Molecular Properties

Compound Name4-(benzimidazol-1-yl)-2-methoxyaniline
PubChem CID63676519
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name4-(benzimidazol-1-yl)-2-methoxyaniline
SMILESCOc1cc(-n2cnc3ccccc32)ccc1N
InChIInChI=1S/C14H13N3O/c1-18-14-8-10(6-7-11(14)15)17-9-16-12-4-2-3-5-13(12)17/h2-9H,15H2,1H3
InChIKeyTYJWBAXLHHGBQK-UHFFFAOYSA-N
XLogP2.62
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-(benzimidazol-1-yl)phenol
CID 118185058
2-[2-amino-5-(benzimidazol-1-yl)phenyl]acetonitrile
CID 102624764
1-(4-chloro-3-methoxyphenyl)benzimidazol-5-amine
CID 107623243
2-methoxy-4-(1-methylbenzimidazol-2-yl)aniline
CID 82354639
5-(benzimidazol-1-yl)-2-nitroaniline
CID 10354943
6-bromo-1-(3,4-dimethoxyphenyl)benzimidazole
CID 126648647
4-(benzimidazol-1-yl)-6-methoxypyrimidin-2-amine
CID 114053321
[4-(benzimidazol-1-yl)-3-methoxyphenyl]methanamine
CID 141496623
4-(benzimidazol-1-yl)-N-(3,4-dimethoxyphenyl)benzamide
CID 17434692
1-(3-ethoxy-4-nitrophenyl)benzimidazole
CID 115885942
N-[4-(benzimidazol-1-yl)phenyl]-2-methoxybenzamide
CID 46692672
(1S)-1-[4-(benzimidazol-1-yl)phenyl]ethanamine
CID 25324450

Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazol-1-yl)-2-methoxyaniline?
The IUPAC name of 4-(benzimidazol-1-yl)-2-methoxyaniline (CID 63676519) is 4-(benzimidazol-1-yl)-2-methoxyaniline.
What is the SMILES notation for 4-(benzimidazol-1-yl)-2-methoxyaniline?
The canonical SMILES for 4-(benzimidazol-1-yl)-2-methoxyaniline is COc1cc(-n2cnc3ccccc32)ccc1N.
What is the InChIKey of 4-(benzimidazol-1-yl)-2-methoxyaniline?
The InChIKey is TYJWBAXLHHGBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-18-14-8-10(6-7-11(14)15)17-9-16-12-4-2-3-5-13(12)17/h2-9H,15H2,1H3.
What are the key properties of 4-(benzimidazol-1-yl)-2-methoxyaniline?
4-(benzimidazol-1-yl)-2-methoxyaniline has a molecular weight of 239.28 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzimidazol-1-yl)-2-methoxyaniline is sourced from PubChem (CID 63676519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).