(1,2-dimethylbenzimidazol-5-yl)-(4-methoxyphenyl)methanamine

C17H19N3O — CID 91873506

IUPAC(1,2-dimethylbenzimidazol-5-yl)-(4-methoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2ccc3c(c2)nc(C)n3C)cc1
InChIInChI=1S/C17H19N3O/c1-11-19-15-10-13(6-9-16(15)20(11)2)17(18)12-4-7-14(21-3)8-5-12/h4-10,17H,18H2,1-3H3
InChIKeyPQHZSQJFLKIJPC-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.94
Rot. Bonds3

About (1,2-dimethylbenzimidazol-5-yl)-(4-methoxyphenyl)methanamine

(1,2-dimethylbenzimidazol-5-yl)-(4-methoxyphenyl)methanamine (PubChem CID 91873506) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is (1,2-dimethylbenzimidazol-5-yl)-(4-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(1,2-dimethylbenzimidazol-5-yl)-(4-methoxyphenyl)methanamine
PubChem CID91873506
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name(1,2-dimethylbenzimidazol-5-yl)-(4-methoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2ccc3c(c2)nc(C)n3C)cc1
InChIInChI=1S/C17H19N3O/c1-11-19-15-10-13(6-9-16(15)20(11)2)17(18)12-4-7-14(21-3)8-5-12/h4-10,17H,18H2,1-3H3
InChIKeyPQHZSQJFLKIJPC-UHFFFAOYSA-N
XLogP2.94
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1,2-dimethylbenzimidazol-5-yl)-(4-methoxyphenyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

amino-(1,2-dimethylbenzimidazol-5-yl)methanol
CID 116939675
1-(1,2-dimethylbenzimidazol-5-yl)-2-methylpropan-1-amine
CID 82493454
1-(1,2-dimethylbenzimidazol-5-yl)-1-N-methylpropane-1,2-diamine
CID 116948132
1-[amino-(1,2-dimethylbenzimidazol-5-yl)methyl]cyclobutane-1-carbonitrile
CID 116943729
2-amino-2-(1,2-dimethylbenzimidazol-5-yl)-N-methylacetamide
CID 116850441
1-(1,2-dimethylbenzimidazol-5-yl)-2-propan-2-ylpropane-1,3-diamine
CID 116945795
3-amino-3-(1,2-dimethylbenzimidazol-5-yl)-2-methylpropanoic acid
CID 116938084
N-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]-1,2-dimethylbenzimidazole-5-carboxamide
CID 94809037
[3-(aminomethyl)oxetan-3-yl]-(1,2-dimethylbenzimidazol-5-yl)methanamine
CID 116944982
2-[amino-(1,2-dimethylbenzimidazol-5-yl)methyl]cyclopropane-1-carboxylic acid
CID 116938647
(1,2-dimethylbenzimidazol-5-yl) hydrogen carbonate
CID 23091994
1-[(1,2-dimethylbenzimidazol-5-yl)-(methylamino)methyl]cyclopropan-1-amine
CID 116961257

Frequently Asked Questions

What is the IUPAC name of (1,2-dimethylbenzimidazol-5-yl)-(4-methoxyphenyl)methanamine?
The IUPAC name of (1,2-dimethylbenzimidazol-5-yl)-(4-methoxyphenyl)methanamine (CID 91873506) is (1,2-dimethylbenzimidazol-5-yl)-(4-methoxyphenyl)methanamine.
What is the SMILES notation for (1,2-dimethylbenzimidazol-5-yl)-(4-methoxyphenyl)methanamine?
The canonical SMILES for (1,2-dimethylbenzimidazol-5-yl)-(4-methoxyphenyl)methanamine is COc1ccc(C(N)c2ccc3c(c2)nc(C)n3C)cc1.
What is the InChIKey of (1,2-dimethylbenzimidazol-5-yl)-(4-methoxyphenyl)methanamine?
The InChIKey is PQHZSQJFLKIJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-11-19-15-10-13(6-9-16(15)20(11)2)17(18)12-4-7-14(21-3)8-5-12/h4-10,17H,18H2,1-3H3.
What are the key properties of (1,2-dimethylbenzimidazol-5-yl)-(4-methoxyphenyl)methanamine?
(1,2-dimethylbenzimidazol-5-yl)-(4-methoxyphenyl)methanamine has a molecular weight of 281.36 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2-dimethylbenzimidazol-5-yl)-(4-methoxyphenyl)methanamine is sourced from PubChem (CID 91873506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).