1-(3-methoxyphenyl)-7-methylbenzimidazol-2-amine

C15H15N3O — CID 115552236

IUPAC1-(3-methoxyphenyl)-7-methylbenzimidazol-2-amine
SMILESCOc1cccc(-n2c(N)nc3cccc(C)c32)c1
InChIInChI=1S/C15H15N3O/c1-10-5-3-8-13-14(10)18(15(16)17-13)11-6-4-7-12(9-11)19-2/h3-9H,1-2H3,(H2,16,17)
InChIKeyLURGBJRCFSOYFP-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.92
Rot. Bonds2

About 1-(3-methoxyphenyl)-7-methylbenzimidazol-2-amine

1-(3-methoxyphenyl)-7-methylbenzimidazol-2-amine (PubChem CID 115552236) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-7-methylbenzimidazol-2-amine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-7-methylbenzimidazol-2-amine
PubChem CID115552236
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name1-(3-methoxyphenyl)-7-methylbenzimidazol-2-amine
SMILESCOc1cccc(-n2c(N)nc3cccc(C)c32)c1
InChIInChI=1S/C15H15N3O/c1-10-5-3-8-13-14(10)18(15(16)17-13)11-6-4-7-12(9-11)19-2/h3-9H,1-2H3,(H2,16,17)
InChIKeyLURGBJRCFSOYFP-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6,7-difluoro-1-(3-methoxyphenyl)benzimidazol-2-amine
CID 62531537
1-(3-bromo-4-methylphenyl)-7-methylbenzimidazol-2-amine
CID 115552506
5-iodo-1-(3-methoxyphenyl)benzimidazol-2-amine
CID 66081189
6-chloro-1-(3-methoxyphenyl)benzimidazol-2-amine
CID 115470387
6-bromo-1-(3-methoxyphenyl)benzimidazol-2-amine
CID 65347117
2-amino-3-(3-methoxyphenyl)benzimidazole-5-carbonitrile
CID 104714790
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methylbenzimidazol-2-amine
CID 115552214
1-(4-fluoro-2-methoxyphenyl)-7-methylbenzimidazol-2-amine
CID 115552389
7-methyl-1-(2,4,5-trichlorophenyl)benzimidazol-2-amine
CID 115552270
1,7-dimethylbenzimidazol-2-amine;ethane
CID 170767427
1-(4-chloro-2-fluorophenyl)-7-methylbenzimidazol-2-amine
CID 115552345
1-(2,5-difluorophenyl)-7-methylbenzimidazol-2-amine
CID 115552264

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-7-methylbenzimidazol-2-amine?
The IUPAC name of 1-(3-methoxyphenyl)-7-methylbenzimidazol-2-amine (CID 115552236) is 1-(3-methoxyphenyl)-7-methylbenzimidazol-2-amine.
What is the SMILES notation for 1-(3-methoxyphenyl)-7-methylbenzimidazol-2-amine?
The canonical SMILES for 1-(3-methoxyphenyl)-7-methylbenzimidazol-2-amine is COc1cccc(-n2c(N)nc3cccc(C)c32)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-7-methylbenzimidazol-2-amine?
The InChIKey is LURGBJRCFSOYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-10-5-3-8-13-14(10)18(15(16)17-13)11-6-4-7-12(9-11)19-2/h3-9H,1-2H3,(H2,16,17).
What are the key properties of 1-(3-methoxyphenyl)-7-methylbenzimidazol-2-amine?
1-(3-methoxyphenyl)-7-methylbenzimidazol-2-amine has a molecular weight of 253.31 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-7-methylbenzimidazol-2-amine is sourced from PubChem (CID 115552236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).