4-(4-methoxyphenyl)-6-(2-methylbenzimidazol-1-yl)pyridine-2,3-diamine

C20H19N5O — CID 118094724

IUPAC4-(4-methoxyphenyl)-6-(2-methylbenzimidazol-1-yl)pyridine-2,3-diamine
SMILESCOc1ccc(-c2cc(-n3c(C)nc4ccccc43)nc(N)c2N)cc1
InChIInChI=1S/C20H19N5O/c1-12-23-16-5-3-4-6-17(16)25(12)18-11-15(19(21)20(22)24-18)13-7-9-14(26-2)10-8-13/h3-11H,21H2,1-2H3,(H2,22,24)
InChIKeyJQKAEKPCXHHDTI-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.57
Rot. Bonds3

About 4-(4-methoxyphenyl)-6-(2-methylbenzimidazol-1-yl)pyridine-2,3-diamine

4-(4-methoxyphenyl)-6-(2-methylbenzimidazol-1-yl)pyridine-2,3-diamine (PubChem CID 118094724) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-6-(2-methylbenzimidazol-1-yl)pyridine-2,3-diamine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-6-(2-methylbenzimidazol-1-yl)pyridine-2,3-diamine
PubChem CID118094724
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name4-(4-methoxyphenyl)-6-(2-methylbenzimidazol-1-yl)pyridine-2,3-diamine
SMILESCOc1ccc(-c2cc(-n3c(C)nc4ccccc43)nc(N)c2N)cc1
InChIInChI=1S/C20H19N5O/c1-12-23-16-5-3-4-6-17(16)25(12)18-11-15(19(21)20(22)24-18)13-7-9-14(26-2)10-8-13/h3-11H,21H2,1-2H3,(H2,22,24)
InChIKeyJQKAEKPCXHHDTI-UHFFFAOYSA-N
XLogP3.57
TPSA91.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(4-methoxyphenyl)-6-(2-methylbenzimidazol-1-yl)pyridine-2,3-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-6-(2-methylbenzimidazol-1-yl)pyridine-2,3-diamine?
The IUPAC name of 4-(4-methoxyphenyl)-6-(2-methylbenzimidazol-1-yl)pyridine-2,3-diamine (CID 118094724) is 4-(4-methoxyphenyl)-6-(2-methylbenzimidazol-1-yl)pyridine-2,3-diamine.
What is the SMILES notation for 4-(4-methoxyphenyl)-6-(2-methylbenzimidazol-1-yl)pyridine-2,3-diamine?
The canonical SMILES for 4-(4-methoxyphenyl)-6-(2-methylbenzimidazol-1-yl)pyridine-2,3-diamine is COc1ccc(-c2cc(-n3c(C)nc4ccccc43)nc(N)c2N)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-6-(2-methylbenzimidazol-1-yl)pyridine-2,3-diamine?
The InChIKey is JQKAEKPCXHHDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-12-23-16-5-3-4-6-17(16)25(12)18-11-15(19(21)20(22)24-18)13-7-9-14(26-2)10-8-13/h3-11H,21H2,1-2H3,(H2,22,24).
What are the key properties of 4-(4-methoxyphenyl)-6-(2-methylbenzimidazol-1-yl)pyridine-2,3-diamine?
4-(4-methoxyphenyl)-6-(2-methylbenzimidazol-1-yl)pyridine-2,3-diamine has a molecular weight of 345.41 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-6-(2-methylbenzimidazol-1-yl)pyridine-2,3-diamine is sourced from PubChem (CID 118094724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).