2-(2-methylphenyl)-4-(4-methylphenyl)-2H-pyrrole

C18H17N — CID 145064414

IUPAC2-(2-methylphenyl)-4-(4-methylphenyl)-2H-pyrrole
SMILESCc1ccc(C2=CC(c3ccccc3C)N=C2)cc1
InChIInChI=1S/C18H17N/c1-13-7-9-15(10-8-13)16-11-18(19-12-16)17-6-4-3-5-14(17)2/h3-12,18H,1-2H3
InChIKeyKOLSHKPNJNTOIH-UHFFFAOYSA-N
MW247.34 g/mol
LogP4.51
Rot. Bonds2

About 2-(2-methylphenyl)-4-(4-methylphenyl)-2H-pyrrole

2-(2-methylphenyl)-4-(4-methylphenyl)-2H-pyrrole (PubChem CID 145064414) has the molecular formula C18H17N and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(2-methylphenyl)-4-(4-methylphenyl)-2H-pyrrole.

Molecular Properties

Compound Name2-(2-methylphenyl)-4-(4-methylphenyl)-2H-pyrrole
PubChem CID145064414
Molecular FormulaC18H17N
Molecular Weight247.34 g/mol
Exact Mass247.14
IUPAC Name2-(2-methylphenyl)-4-(4-methylphenyl)-2H-pyrrole
SMILESCc1ccc(C2=CC(c3ccccc3C)N=C2)cc1
InChIInChI=1S/C18H17N/c1-13-7-9-15(10-8-13)16-11-18(19-12-16)17-6-4-3-5-14(17)2/h3-12,18H,1-2H3
InChIKeyKOLSHKPNJNTOIH-UHFFFAOYSA-N
XLogP4.51
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(2-methylphenyl)-4-(4-methylphenyl)-2H-pyrrole 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-(2-methylphenyl)-4-(4-methylphenyl)-2H-pyrrole?
The IUPAC name of 2-(2-methylphenyl)-4-(4-methylphenyl)-2H-pyrrole (CID 145064414) is 2-(2-methylphenyl)-4-(4-methylphenyl)-2H-pyrrole.
What is the SMILES notation for 2-(2-methylphenyl)-4-(4-methylphenyl)-2H-pyrrole?
The canonical SMILES for 2-(2-methylphenyl)-4-(4-methylphenyl)-2H-pyrrole is Cc1ccc(C2=CC(c3ccccc3C)N=C2)cc1.
What is the InChIKey of 2-(2-methylphenyl)-4-(4-methylphenyl)-2H-pyrrole?
The InChIKey is KOLSHKPNJNTOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N/c1-13-7-9-15(10-8-13)16-11-18(19-12-16)17-6-4-3-5-14(17)2/h3-12,18H,1-2H3.
What are the key properties of 2-(2-methylphenyl)-4-(4-methylphenyl)-2H-pyrrole?
2-(2-methylphenyl)-4-(4-methylphenyl)-2H-pyrrole has a molecular weight of 247.34 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-4-(4-methylphenyl)-2H-pyrrole is sourced from PubChem (CID 145064414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).