2-(1H-imidazol-2-ylmethyl)-3-(1H-pyrrol-2-ylmethyl)pyridine

C14H14N4 — CID 141114844

IUPAC2-(1H-imidazol-2-ylmethyl)-3-(1H-pyrrol-2-ylmethyl)pyridine
SMILESc1c[nH]c(Cc2cccnc2Cc2ncc[nH]2)c1
InChIInChI=1S/C14H14N4/c1-3-11(9-12-4-2-5-15-12)13(16-6-1)10-14-17-7-8-18-14/h1-8,15H,9-10H2,(H,17,18)
InChIKeyWWAQVQPRUKFPGH-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.31
Rot. Bonds4

About 2-(1H-imidazol-2-ylmethyl)-3-(1H-pyrrol-2-ylmethyl)pyridine

2-(1H-imidazol-2-ylmethyl)-3-(1H-pyrrol-2-ylmethyl)pyridine (PubChem CID 141114844) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-(1H-imidazol-2-ylmethyl)-3-(1H-pyrrol-2-ylmethyl)pyridine.

Molecular Properties

Compound Name2-(1H-imidazol-2-ylmethyl)-3-(1H-pyrrol-2-ylmethyl)pyridine
PubChem CID141114844
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name2-(1H-imidazol-2-ylmethyl)-3-(1H-pyrrol-2-ylmethyl)pyridine
SMILESc1c[nH]c(Cc2cccnc2Cc2ncc[nH]2)c1
InChIInChI=1S/C14H14N4/c1-3-11(9-12-4-2-5-15-12)13(16-6-1)10-14-17-7-8-18-14/h1-8,15H,9-10H2,(H,17,18)
InChIKeyWWAQVQPRUKFPGH-UHFFFAOYSA-N
XLogP2.31
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(1H-imidazol-2-ylmethyl)-3-(1H-pyrrol-2-ylmethyl)pyridine 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 2-(1H-imidazol-2-ylmethyl)-3-(1H-pyrrol-2-ylmethyl)pyridine?
The IUPAC name of 2-(1H-imidazol-2-ylmethyl)-3-(1H-pyrrol-2-ylmethyl)pyridine (CID 141114844) is 2-(1H-imidazol-2-ylmethyl)-3-(1H-pyrrol-2-ylmethyl)pyridine.
What is the SMILES notation for 2-(1H-imidazol-2-ylmethyl)-3-(1H-pyrrol-2-ylmethyl)pyridine?
The canonical SMILES for 2-(1H-imidazol-2-ylmethyl)-3-(1H-pyrrol-2-ylmethyl)pyridine is c1c[nH]c(Cc2cccnc2Cc2ncc[nH]2)c1.
What is the InChIKey of 2-(1H-imidazol-2-ylmethyl)-3-(1H-pyrrol-2-ylmethyl)pyridine?
The InChIKey is WWAQVQPRUKFPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-3-11(9-12-4-2-5-15-12)13(16-6-1)10-14-17-7-8-18-14/h1-8,15H,9-10H2,(H,17,18).
What are the key properties of 2-(1H-imidazol-2-ylmethyl)-3-(1H-pyrrol-2-ylmethyl)pyridine?
2-(1H-imidazol-2-ylmethyl)-3-(1H-pyrrol-2-ylmethyl)pyridine has a molecular weight of 238.29 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-ylmethyl)-3-(1H-pyrrol-2-ylmethyl)pyridine is sourced from PubChem (CID 141114844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).