2-methoxy-4-(1-methylbenzimidazol-2-yl)aniline

C15H15N3O — CID 82354639

IUPAC2-methoxy-4-(1-methylbenzimidazol-2-yl)aniline
SMILESCOc1cc(-c2nc3ccccc3n2C)ccc1N
InChIInChI=1S/C15H15N3O/c1-18-13-6-4-3-5-12(13)17-15(18)10-7-8-11(16)14(9-10)19-2/h3-9H,16H2,1-2H3
InChIKeyLDQHRGQGTHZEDV-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.83
Rot. Bonds2

About 2-methoxy-4-(1-methylbenzimidazol-2-yl)aniline

2-methoxy-4-(1-methylbenzimidazol-2-yl)aniline (PubChem CID 82354639) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-methoxy-4-(1-methylbenzimidazol-2-yl)aniline.

Molecular Properties

Compound Name2-methoxy-4-(1-methylbenzimidazol-2-yl)aniline
PubChem CID82354639
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name2-methoxy-4-(1-methylbenzimidazol-2-yl)aniline
SMILESCOc1cc(-c2nc3ccccc3n2C)ccc1N
InChIInChI=1S/C15H15N3O/c1-18-13-6-4-3-5-12(13)17-15(18)10-7-8-11(16)14(9-10)19-2/h3-9H,16H2,1-2H3
InChIKeyLDQHRGQGTHZEDV-UHFFFAOYSA-N
XLogP2.83
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.83
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

1-methyl-2-(3,4,5-trimethoxyphenyl)benzimidazole
CID 888632
2-amino-5-(1-methylbenzimidazol-2-yl)phenol
CID 60835038
2-(3,4-dimethoxyphenyl)-1-methylbenzimidazol-4-amine
CID 82067974
3-methoxy-4-(1-methylbenzimidazol-2-yl)aniline
CID 82481745
4-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methoxyaniline
CID 82472145
4-(benzimidazol-1-yl)-2-methoxyaniline
CID 63676519
1,8-dimethoxy-3-(1-methylbenzimidazol-2-yl)anthracene-9,10-dione
CID 18996974
2-(4-iodophenyl)-1-methylbenzimidazole
CID 23094064
2-(4-chlorophenyl)-1-methylbenzimidazole
CID 974595
3-(4-amino-3-methoxyphenyl)imidazo[1,5-a]pyridine-1-carbonitrile
CID 84760106
2-(3,4-dimethoxyphenyl)-1-(2-methoxyethyl)benzimidazole
CID 2946907
4-(4-amino-3-methoxyphenyl)-2-methoxyaniline;benzene
CID 157477717

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(1-methylbenzimidazol-2-yl)aniline?
The IUPAC name of 2-methoxy-4-(1-methylbenzimidazol-2-yl)aniline (CID 82354639) is 2-methoxy-4-(1-methylbenzimidazol-2-yl)aniline.
What is the SMILES notation for 2-methoxy-4-(1-methylbenzimidazol-2-yl)aniline?
The canonical SMILES for 2-methoxy-4-(1-methylbenzimidazol-2-yl)aniline is COc1cc(-c2nc3ccccc3n2C)ccc1N.
What is the InChIKey of 2-methoxy-4-(1-methylbenzimidazol-2-yl)aniline?
The InChIKey is LDQHRGQGTHZEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-18-13-6-4-3-5-12(13)17-15(18)10-7-8-11(16)14(9-10)19-2/h3-9H,16H2,1-2H3.
What are the key properties of 2-methoxy-4-(1-methylbenzimidazol-2-yl)aniline?
2-methoxy-4-(1-methylbenzimidazol-2-yl)aniline has a molecular weight of 253.31 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(1-methylbenzimidazol-2-yl)aniline is sourced from PubChem (CID 82354639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).