N-(1H-benzimidazol-2-ylmethyl)pyridin-2-amine

C13H12N4 — CID 150607804

IUPACN-(1H-benzimidazol-2-ylmethyl)pyridin-2-amine
SMILESc1ccc(NCc2nc3ccccc3[nH]2)nc1
InChIInChI=1S/C13H12N4/c1-2-6-11-10(5-1)16-13(17-11)9-15-12-7-3-4-8-14-12/h1-8H,9H2,(H,14,15)(H,16,17)
InChIKeyITGBQHFVNJALIH-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.57
Rot. Bonds3

About N-(1H-benzimidazol-2-ylmethyl)pyridin-2-amine

N-(1H-benzimidazol-2-ylmethyl)pyridin-2-amine (PubChem CID 150607804) has the molecular formula C13H12N4 and a molecular weight of 224.27 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)pyridin-2-amine
PubChem CID150607804
Molecular FormulaC13H12N4
Molecular Weight224.27 g/mol
Exact Mass224.11
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)pyridin-2-amine
SMILESc1ccc(NCc2nc3ccccc3[nH]2)nc1
InChIInChI=1S/C13H12N4/c1-2-6-11-10(5-1)16-13(17-11)9-15-12-7-3-4-8-14-12/h1-8H,9H2,(H,14,15)(H,16,17)
InChIKeyITGBQHFVNJALIH-UHFFFAOYSA-N
XLogP2.57
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1H-benzimidazol-2-ylmethyl)pyridin-2-amine 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

1-(1H-benzimidazol-2-yl)-N-methylmethanamine;dihydrochloride
CID 13169407
6-N-(1H-benzimidazol-2-ylmethyl)-9-propan-2-yl-2-N-pyridin-2-ylpurine-2,6-diamine
CID 117093366
4-N-(1H-benzimidazol-2-ylmethyl)-6-methoxy-2-N-pyrimidin-2-yl-1,3,5-triazine-2,4-diamine
CID 117092679
N-(1H-benzimidazol-2-ylmethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 2547545
N-(1H-benzimidazol-2-ylmethyl)propan-2-amine;dihydrochloride
CID 56773634
N-(1H-benzimidazol-2-ylmethyl)cyclobutanamine
CID 78991541
2-N-(1H-benzimidazol-2-ylmethyl)propane-1,2-diamine
CID 103389827
2-[7-(1H-benzimidazol-2-yl)heptyl]-1H-benzimidazole dichloride
CID 21205310
N-(1H-benzimidazol-2-ylmethyl)-2-pyridin-2-ylsulfanylacetamide
CID 21008866
N'-(1H-benzimidazol-2-ylmethyl)ethane-1,2-diamine
CID 15365342
N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-2-methyl-6-pyridin-2-ylpyrimidin-4-amine
CID 154859288
4-(1-aminoethenyl)-N-(1H-benzimidazol-2-ylmethyl)aniline
CID 59910528

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)pyridin-2-amine?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)pyridin-2-amine (CID 150607804) is N-(1H-benzimidazol-2-ylmethyl)pyridin-2-amine.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)pyridin-2-amine?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)pyridin-2-amine is c1ccc(NCc2nc3ccccc3[nH]2)nc1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)pyridin-2-amine?
The InChIKey is ITGBQHFVNJALIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4/c1-2-6-11-10(5-1)16-13(17-11)9-15-12-7-3-4-8-14-12/h1-8H,9H2,(H,14,15)(H,16,17).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)pyridin-2-amine?
N-(1H-benzimidazol-2-ylmethyl)pyridin-2-amine has a molecular weight of 224.27 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 150607804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).