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

C15H15N3O — CID 82481745

IUPAC3-methoxy-4-(1-methylbenzimidazol-2-yl)aniline
SMILESCOc1cc(N)ccc1-c1nc2ccccc2n1C
InChIInChI=1S/C15H15N3O/c1-18-13-6-4-3-5-12(13)17-15(18)11-8-7-10(16)9-14(11)19-2/h3-9H,16H2,1-2H3
InChIKeyWWTPXCCRDOGZDT-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.83
Rot. Bonds2

About 3-methoxy-4-(1-methylbenzimidazol-2-yl)aniline

3-methoxy-4-(1-methylbenzimidazol-2-yl)aniline (PubChem CID 82481745) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 3-methoxy-4-(1-methylbenzimidazol-2-yl)aniline.

Molecular Properties

Compound Name3-methoxy-4-(1-methylbenzimidazol-2-yl)aniline
PubChem CID82481745
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name3-methoxy-4-(1-methylbenzimidazol-2-yl)aniline
SMILESCOc1cc(N)ccc1-c1nc2ccccc2n1C
InChIInChI=1S/C15H15N3O/c1-18-13-6-4-3-5-12(13)17-15(18)11-8-7-10(16)9-14(11)19-2/h3-9H,16H2,1-2H3
InChIKeyWWTPXCCRDOGZDT-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

4-(5-fluoro-1-methylbenzimidazol-2-yl)-3-methoxyaniline
CID 107209073
4-bromo-3-(1-methylbenzimidazol-2-yl)aniline
CID 113281116
2-methoxy-4-(1-methylbenzimidazol-2-yl)aniline
CID 82354639
1-methyl-2-(3,4,5-trimethoxyphenyl)benzimidazole
CID 888632
3,4-dimethyl-5-(1-methylbenzimidazol-2-yl)aniline
CID 63020855
4-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-methoxyaniline
CID 82472146
4-acridin-9-yl-3-methoxyaniline
CID 21106052
2-(2,4-dimethoxyphenyl)-1-phenylbenzimidazole
CID 86118323
2-(1-methylbenzimidazol-2-yl)phenol
CID 139198195
4-[2-(2-methoxyphenyl)benzimidazol-1-yl]butan-1-amine
CID 82144688
2-[2-(1-methylbenzimidazol-2-yl)phenoxy]ethanol
CID 46986760
3-methyl-4-[(1-methylbenzimidazol-2-yl)methyl]aniline
CID 79753807

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(1-methylbenzimidazol-2-yl)aniline?
The IUPAC name of 3-methoxy-4-(1-methylbenzimidazol-2-yl)aniline (CID 82481745) is 3-methoxy-4-(1-methylbenzimidazol-2-yl)aniline.
What is the SMILES notation for 3-methoxy-4-(1-methylbenzimidazol-2-yl)aniline?
The canonical SMILES for 3-methoxy-4-(1-methylbenzimidazol-2-yl)aniline is COc1cc(N)ccc1-c1nc2ccccc2n1C.
What is the InChIKey of 3-methoxy-4-(1-methylbenzimidazol-2-yl)aniline?
The InChIKey is WWTPXCCRDOGZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-18-13-6-4-3-5-12(13)17-15(18)11-8-7-10(16)9-14(11)19-2/h3-9H,16H2,1-2H3.
What are the key properties of 3-methoxy-4-(1-methylbenzimidazol-2-yl)aniline?
3-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 3-methoxy-4-(1-methylbenzimidazol-2-yl)aniline is sourced from PubChem (CID 82481745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).