1-methyl-2-pyridin-3-ylbenzimidazol-4-amine

C13H12N4 — CID 82068140

IUPAC1-methyl-2-pyridin-3-ylbenzimidazol-4-amine
SMILESCn1c(-c2cccnc2)nc2c(N)cccc21
InChIInChI=1S/C13H12N4/c1-17-11-6-2-5-10(14)12(11)16-13(17)9-4-3-7-15-8-9/h2-8H,14H2,1H3
InChIKeyUKNKGZSQEWXXLO-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.22
Rot. Bonds1

About 1-methyl-2-pyridin-3-ylbenzimidazol-4-amine

1-methyl-2-pyridin-3-ylbenzimidazol-4-amine (PubChem CID 82068140) has the molecular formula C13H12N4 and a molecular weight of 224.27 g/mol. Its IUPAC name is 1-methyl-2-pyridin-3-ylbenzimidazol-4-amine.

Molecular Properties

Compound Name1-methyl-2-pyridin-3-ylbenzimidazol-4-amine
PubChem CID82068140
Molecular FormulaC13H12N4
Molecular Weight224.27 g/mol
Exact Mass224.11
IUPAC Name1-methyl-2-pyridin-3-ylbenzimidazol-4-amine
SMILESCn1c(-c2cccnc2)nc2c(N)cccc21
InChIInChI=1S/C13H12N4/c1-17-11-6-2-5-10(14)12(11)16-13(17)9-4-3-7-15-8-9/h2-8H,14H2,1H3
InChIKeyUKNKGZSQEWXXLO-UHFFFAOYSA-N
XLogP2.22
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-pyridin-3-ylbenzimidazol-4-amine?
The IUPAC name of 1-methyl-2-pyridin-3-ylbenzimidazol-4-amine (CID 82068140) is 1-methyl-2-pyridin-3-ylbenzimidazol-4-amine.
What is the SMILES notation for 1-methyl-2-pyridin-3-ylbenzimidazol-4-amine?
The canonical SMILES for 1-methyl-2-pyridin-3-ylbenzimidazol-4-amine is Cn1c(-c2cccnc2)nc2c(N)cccc21.
What is the InChIKey of 1-methyl-2-pyridin-3-ylbenzimidazol-4-amine?
The InChIKey is UKNKGZSQEWXXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4/c1-17-11-6-2-5-10(14)12(11)16-13(17)9-4-3-7-15-8-9/h2-8H,14H2,1H3.
What are the key properties of 1-methyl-2-pyridin-3-ylbenzimidazol-4-amine?
1-methyl-2-pyridin-3-ylbenzimidazol-4-amine has a molecular weight of 224.27 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-pyridin-3-ylbenzimidazol-4-amine is sourced from PubChem (CID 82068140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).