2-bromo-5-[(4-bromo-1H-pyrrol-2-yl)-(4-methylphenyl)methyl]-1H-pyrrole

C16H14Br2N2 — CID 23628702

IUPAC2-bromo-5-[(4-bromo-1H-pyrrol-2-yl)-(4-methylphenyl)methyl]-1H-pyrrole
SMILESCc1ccc(C(c2cc(Br)c[nH]2)c2ccc(Br)[nH]2)cc1
InChIInChI=1S/C16H14Br2N2/c1-10-2-4-11(5-3-10)16(13-6-7-15(18)20-13)14-8-12(17)9-19-14/h2-9,16,19-20H,1H3
InChIKeyREVDSIHCOGCIQU-UHFFFAOYSA-N
MW394.11 g/mol
LogP5.36
Rot. Bonds3

About 2-bromo-5-[(4-bromo-1H-pyrrol-2-yl)-(4-methylphenyl)methyl]-1H-pyrrole

2-bromo-5-[(4-bromo-1H-pyrrol-2-yl)-(4-methylphenyl)methyl]-1H-pyrrole (PubChem CID 23628702) has the molecular formula C16H14Br2N2 and a molecular weight of 394.11 g/mol. Its IUPAC name is 2-bromo-5-[(4-bromo-1H-pyrrol-2-yl)-(4-methylphenyl)methyl]-1H-pyrrole.

Molecular Properties

Compound Name2-bromo-5-[(4-bromo-1H-pyrrol-2-yl)-(4-methylphenyl)methyl]-1H-pyrrole
PubChem CID23628702
Molecular FormulaC16H14Br2N2
Molecular Weight394.11 g/mol
Exact Mass391.95
IUPAC Name2-bromo-5-[(4-bromo-1H-pyrrol-2-yl)-(4-methylphenyl)methyl]-1H-pyrrole
SMILESCc1ccc(C(c2cc(Br)c[nH]2)c2ccc(Br)[nH]2)cc1
InChIInChI=1S/C16H14Br2N2/c1-10-2-4-11(5-3-10)16(13-6-7-15(18)20-13)14-8-12(17)9-19-14/h2-9,16,19-20H,1H3
InChIKeyREVDSIHCOGCIQU-UHFFFAOYSA-N
XLogP5.36
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.11
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Analyze 2-bromo-5-[(4-bromo-1H-pyrrol-2-yl)-(4-methylphenyl)methyl]-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

(5Z)-5-[[5-[[5-[(5-bromo-1H-pyrrol-2-yl)-(4-iodophenyl)methyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methyl]-1H-pyrrol-2-yl]methylidene]-2,4,4-trimethyl-3H-pyrrole
CID 10628642
[5-[hydroxy-(4-methylphenyl)methyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methanol
CID 15297737
2-[[4-[1H-pyrrol-2-yl-(2,4,6-trimethylphenyl)methyl]phenyl]-(2,4,6-trimethylphenyl)methyl]-1H-pyrrole
CID 101493519
[5-[[5-(4-methoxybenzoyl)-1H-pyrrol-2-yl]-(4-methylphenyl)methyl]-1H-pyrrol-2-yl]-phenylmethanone
CID 11070775
[5-[[5-[hydroxy-(4-methylphenyl)methyl]-1H-pyrrol-2-yl]-[4-(2-trimethylsilylethynyl)phenyl]methyl]-1H-pyrrol-2-yl]-(4-methylphenyl)methanol
CID 10650481
2-[bis(4-methylphenyl)methyl]-5-methylphenol
CID 21115451
1,2,3-trimethyl-5-[(4-methylphenyl)-(3,4,5-trimethylphenyl)methyl]benzene
CID 59749663
[5-[(5-bromo-1H-pyrrol-2-yl)-[4-(2-trimethylsilylethynyl)phenyl]methyl]-1H-pyrrol-2-yl]-(3,5-ditert-butylphenyl)methanone
CID 10897378
methyl 3-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-3-(4-methylphenyl)propanoate
CID 55440281
(4-methylphenyl)-[5-[(4-methylphenyl)-thiophen-2-ylmethyl]-1H-pyrrol-2-yl]methanol
CID 101000493
(1S)-1-(4-bromo-1H-pyrrol-2-yl)-2,2,2-trifluoroethanamine
CID 131096947
2-[1H-indol-3-yl-(4-methylphenyl)methyl]-3-methyl-1H-indole
CID 134975119

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[(4-bromo-1H-pyrrol-2-yl)-(4-methylphenyl)methyl]-1H-pyrrole?
The IUPAC name of 2-bromo-5-[(4-bromo-1H-pyrrol-2-yl)-(4-methylphenyl)methyl]-1H-pyrrole (CID 23628702) is 2-bromo-5-[(4-bromo-1H-pyrrol-2-yl)-(4-methylphenyl)methyl]-1H-pyrrole.
What is the SMILES notation for 2-bromo-5-[(4-bromo-1H-pyrrol-2-yl)-(4-methylphenyl)methyl]-1H-pyrrole?
The canonical SMILES for 2-bromo-5-[(4-bromo-1H-pyrrol-2-yl)-(4-methylphenyl)methyl]-1H-pyrrole is Cc1ccc(C(c2cc(Br)c[nH]2)c2ccc(Br)[nH]2)cc1.
What is the InChIKey of 2-bromo-5-[(4-bromo-1H-pyrrol-2-yl)-(4-methylphenyl)methyl]-1H-pyrrole?
The InChIKey is REVDSIHCOGCIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Br2N2/c1-10-2-4-11(5-3-10)16(13-6-7-15(18)20-13)14-8-12(17)9-19-14/h2-9,16,19-20H,1H3.
What are the key properties of 2-bromo-5-[(4-bromo-1H-pyrrol-2-yl)-(4-methylphenyl)methyl]-1H-pyrrole?
2-bromo-5-[(4-bromo-1H-pyrrol-2-yl)-(4-methylphenyl)methyl]-1H-pyrrole has a molecular weight of 394.11 g/mol, XLogP of 5.36, 3 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[(4-bromo-1H-pyrrol-2-yl)-(4-methylphenyl)methyl]-1H-pyrrole is sourced from PubChem (CID 23628702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).