2-[4-(3,4-dimethyl-1H-pyrrol-2-yl)phenyl]-3,4-dimethyl-1H-pyrrole

C18H20N2 — CID 102257095

IUPAC2-[4-(3,4-dimethyl-1H-pyrrol-2-yl)phenyl]-3,4-dimethyl-1H-pyrrole
SMILESCc1c[nH]c(-c2ccc(-c3[nH]cc(C)c3C)cc2)c1C
InChIInChI=1S/C18H20N2/c1-11-9-19-17(13(11)3)15-5-7-16(8-6-15)18-14(4)12(2)10-20-18/h5-10,19-20H,1-4H3
InChIKeyACKPTCJXCFVVJI-UHFFFAOYSA-N
MW264.37 g/mol
LogP4.91
Rot. Bonds2

About 2-[4-(3,4-dimethyl-1H-pyrrol-2-yl)phenyl]-3,4-dimethyl-1H-pyrrole

2-[4-(3,4-dimethyl-1H-pyrrol-2-yl)phenyl]-3,4-dimethyl-1H-pyrrole (PubChem CID 102257095) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[4-(3,4-dimethyl-1H-pyrrol-2-yl)phenyl]-3,4-dimethyl-1H-pyrrole.

Molecular Properties

Compound Name2-[4-(3,4-dimethyl-1H-pyrrol-2-yl)phenyl]-3,4-dimethyl-1H-pyrrole
PubChem CID102257095
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC Name2-[4-(3,4-dimethyl-1H-pyrrol-2-yl)phenyl]-3,4-dimethyl-1H-pyrrole
SMILESCc1c[nH]c(-c2ccc(-c3[nH]cc(C)c3C)cc2)c1C
InChIInChI=1S/C18H20N2/c1-11-9-19-17(13(11)3)15-5-7-16(8-6-15)18-14(4)12(2)10-20-18/h5-10,19-20H,1-4H3
InChIKeyACKPTCJXCFVVJI-UHFFFAOYSA-N
XLogP4.91
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Analyze 2-[4-(3,4-dimethyl-1H-pyrrol-2-yl)phenyl]-3,4-dimethyl-1H-pyrrole 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

4-(3,4-dimethyl-1H-pyrrol-2-yl)pyridine
CID 121217815
ethane;2,3,4-trimethyl-1H-pyrrole
CID 54386000
1-[5-(4-chlorophenyl)-4-methyl-1H-pyrrol-3-yl]ethanone
CID 118582078
4-methyl-5-phenyl-1H-pyrrole-3-carbaldehyde
CID 71362812
ethyl 2-(4-bromophenyl)-4-methyl-1H-pyrrole-3-carboxylate
CID 53254198
(3,4-dimethyl-1H-pyrrol-2-yl)-trimethylsilane
CID 139716381
bis(3,4-dimethyl-1H-pyrrol-2-yl)methanone
CID 119030521
2-ethenyl-3,4-dimethyl-1H-pyrrole
CID 144990960
3-diethoxyphosphoryl-4-methyl-2-phenyl-1H-pyrrole
CID 132524949
1-[4-(2H-isoindol-1-yl)phenyl]-2H-isoindole
CID 57226525
3-fluoro-4,5-dimethyl-1H-pyridin-2-one
CID 151411047
4-(3,4-dichlorophenyl)-5-methyl-1H-pyridin-2-one
CID 133092863

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-dimethyl-1H-pyrrol-2-yl)phenyl]-3,4-dimethyl-1H-pyrrole?
The IUPAC name of 2-[4-(3,4-dimethyl-1H-pyrrol-2-yl)phenyl]-3,4-dimethyl-1H-pyrrole (CID 102257095) is 2-[4-(3,4-dimethyl-1H-pyrrol-2-yl)phenyl]-3,4-dimethyl-1H-pyrrole.
What is the SMILES notation for 2-[4-(3,4-dimethyl-1H-pyrrol-2-yl)phenyl]-3,4-dimethyl-1H-pyrrole?
The canonical SMILES for 2-[4-(3,4-dimethyl-1H-pyrrol-2-yl)phenyl]-3,4-dimethyl-1H-pyrrole is Cc1c[nH]c(-c2ccc(-c3[nH]cc(C)c3C)cc2)c1C.
What is the InChIKey of 2-[4-(3,4-dimethyl-1H-pyrrol-2-yl)phenyl]-3,4-dimethyl-1H-pyrrole?
The InChIKey is ACKPTCJXCFVVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2/c1-11-9-19-17(13(11)3)15-5-7-16(8-6-15)18-14(4)12(2)10-20-18/h5-10,19-20H,1-4H3.
What are the key properties of 2-[4-(3,4-dimethyl-1H-pyrrol-2-yl)phenyl]-3,4-dimethyl-1H-pyrrole?
2-[4-(3,4-dimethyl-1H-pyrrol-2-yl)phenyl]-3,4-dimethyl-1H-pyrrole has a molecular weight of 264.37 g/mol, XLogP of 4.91, 2 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-dimethyl-1H-pyrrol-2-yl)phenyl]-3,4-dimethyl-1H-pyrrole is sourced from PubChem (CID 102257095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).