4-(3-methylbenzimidazol-5-yl)pyridine-2,6-diamine

C13H13N5 — CID 155920135

IUPAC4-(3-methylbenzimidazol-5-yl)pyridine-2,6-diamine
SMILESCn1cnc2ccc(-c3cc(N)nc(N)c3)cc21
InChIInChI=1S/C13H13N5/c1-18-7-16-10-3-2-8(4-11(10)18)9-5-12(14)17-13(15)6-9/h2-7H,1H3,(H4,14,15,17)
InChIKeySOLATORCLYYKKR-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.80
Rot. Bonds1

About 4-(3-methylbenzimidazol-5-yl)pyridine-2,6-diamine

4-(3-methylbenzimidazol-5-yl)pyridine-2,6-diamine (PubChem CID 155920135) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is 4-(3-methylbenzimidazol-5-yl)pyridine-2,6-diamine.

Molecular Properties

Compound Name4-(3-methylbenzimidazol-5-yl)pyridine-2,6-diamine
PubChem CID155920135
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC Name4-(3-methylbenzimidazol-5-yl)pyridine-2,6-diamine
SMILESCn1cnc2ccc(-c3cc(N)nc(N)c3)cc21
InChIInChI=1S/C13H13N5/c1-18-7-16-10-3-2-8(4-11(10)18)9-5-12(14)17-13(15)6-9/h2-7H,1H3,(H4,14,15,17)
InChIKeySOLATORCLYYKKR-UHFFFAOYSA-N
XLogP1.80
TPSA82.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylbenzimidazol-5-yl)pyridine-2,6-diamine?
The IUPAC name of 4-(3-methylbenzimidazol-5-yl)pyridine-2,6-diamine (CID 155920135) is 4-(3-methylbenzimidazol-5-yl)pyridine-2,6-diamine.
What is the SMILES notation for 4-(3-methylbenzimidazol-5-yl)pyridine-2,6-diamine?
The canonical SMILES for 4-(3-methylbenzimidazol-5-yl)pyridine-2,6-diamine is Cn1cnc2ccc(-c3cc(N)nc(N)c3)cc21.
What is the InChIKey of 4-(3-methylbenzimidazol-5-yl)pyridine-2,6-diamine?
The InChIKey is SOLATORCLYYKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c1-18-7-16-10-3-2-8(4-11(10)18)9-5-12(14)17-13(15)6-9/h2-7H,1H3,(H4,14,15,17).
What are the key properties of 4-(3-methylbenzimidazol-5-yl)pyridine-2,6-diamine?
4-(3-methylbenzimidazol-5-yl)pyridine-2,6-diamine has a molecular weight of 239.28 g/mol, XLogP of 1.80, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylbenzimidazol-5-yl)pyridine-2,6-diamine is sourced from PubChem (CID 155920135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).