N-methyl-1-(3-pyridin-3-ylphenyl)benzimidazol-5-amine

C19H16N4 — CID 170990930

IUPACN-methyl-1-(3-pyridin-3-ylphenyl)benzimidazol-5-amine
SMILESCNc1ccc2c(c1)ncn2-c1cccc(-c2cccnc2)c1
InChIInChI=1S/C19H16N4/c1-20-16-7-8-19-18(11-16)22-13-23(19)17-6-2-4-14(10-17)15-5-3-9-21-12-15/h2-13,20H,1H3
InChIKeyGVXZEQMXTNJEAJ-UHFFFAOYSA-N
MW300.37 g/mol
LogP4.13
Rot. Bonds3

About N-methyl-1-(3-pyridin-3-ylphenyl)benzimidazol-5-amine

N-methyl-1-(3-pyridin-3-ylphenyl)benzimidazol-5-amine (PubChem CID 170990930) has the molecular formula C19H16N4 and a molecular weight of 300.37 g/mol. Its IUPAC name is N-methyl-1-(3-pyridin-3-ylphenyl)benzimidazol-5-amine.

Molecular Properties

Compound NameN-methyl-1-(3-pyridin-3-ylphenyl)benzimidazol-5-amine
PubChem CID170990930
Molecular FormulaC19H16N4
Molecular Weight300.37 g/mol
Exact Mass300.14
IUPAC NameN-methyl-1-(3-pyridin-3-ylphenyl)benzimidazol-5-amine
SMILESCNc1ccc2c(c1)ncn2-c1cccc(-c2cccnc2)c1
InChIInChI=1S/C19H16N4/c1-20-16-7-8-19-18(11-16)22-13-23(19)17-6-2-4-14(10-17)15-5-3-9-21-12-15/h2-13,20H,1H3
InChIKeyGVXZEQMXTNJEAJ-UHFFFAOYSA-N
XLogP4.13
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-pyridin-3-ylphenyl)benzimidazol-5-amine?
The IUPAC name of N-methyl-1-(3-pyridin-3-ylphenyl)benzimidazol-5-amine (CID 170990930) is N-methyl-1-(3-pyridin-3-ylphenyl)benzimidazol-5-amine.
What is the SMILES notation for N-methyl-1-(3-pyridin-3-ylphenyl)benzimidazol-5-amine?
The canonical SMILES for N-methyl-1-(3-pyridin-3-ylphenyl)benzimidazol-5-amine is CNc1ccc2c(c1)ncn2-c1cccc(-c2cccnc2)c1.
What is the InChIKey of N-methyl-1-(3-pyridin-3-ylphenyl)benzimidazol-5-amine?
The InChIKey is GVXZEQMXTNJEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4/c1-20-16-7-8-19-18(11-16)22-13-23(19)17-6-2-4-14(10-17)15-5-3-9-21-12-15/h2-13,20H,1H3.
What are the key properties of N-methyl-1-(3-pyridin-3-ylphenyl)benzimidazol-5-amine?
N-methyl-1-(3-pyridin-3-ylphenyl)benzimidazol-5-amine has a molecular weight of 300.37 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-pyridin-3-ylphenyl)benzimidazol-5-amine is sourced from PubChem (CID 170990930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).