2-(4-bromophenyl)-4-(1-methylbenzimidazol-2-yl)quinoline

C23H16BrN3 — CID 7024920

IUPAC2-(4-bromophenyl)-4-(1-methylbenzimidazol-2-yl)quinoline
SMILESCn1c(-c2cc(-c3ccc(Br)cc3)nc3ccccc23)nc2ccccc21
InChIInChI=1S/C23H16BrN3/c1-27-22-9-5-4-8-20(22)26-23(27)18-14-21(15-10-12-16(24)13-11-15)25-19-7-3-2-6-17(18)19/h2-14H,1H3
InChIKeyXRRLWCSBWLUOEJ-UHFFFAOYSA-N
MW414.31 g/mol
LogP6.22
Rot. Bonds2

About 2-(4-bromophenyl)-4-(1-methylbenzimidazol-2-yl)quinoline

2-(4-bromophenyl)-4-(1-methylbenzimidazol-2-yl)quinoline (PubChem CID 7024920) has the molecular formula C23H16BrN3 and a molecular weight of 414.31 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4-(1-methylbenzimidazol-2-yl)quinoline.

Molecular Properties

Compound Name2-(4-bromophenyl)-4-(1-methylbenzimidazol-2-yl)quinoline
PubChem CID7024920
Molecular FormulaC23H16BrN3
Molecular Weight414.31 g/mol
Exact Mass413.05
IUPAC Name2-(4-bromophenyl)-4-(1-methylbenzimidazol-2-yl)quinoline
SMILESCn1c(-c2cc(-c3ccc(Br)cc3)nc3ccccc23)nc2ccccc21
InChIInChI=1S/C23H16BrN3/c1-27-22-9-5-4-8-20(22)26-23(27)18-14-21(15-10-12-16(24)13-11-15)25-19-7-3-2-6-17(18)19/h2-14H,1H3
InChIKeyXRRLWCSBWLUOEJ-UHFFFAOYSA-N
XLogP6.22
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.31
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-bromophenyl)-4-(1-methylbenzimidazol-2-yl)quinoline 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-(4-bromophenyl)-4-(1-methylbenzimidazol-2-yl)quinoline?
The IUPAC name of 2-(4-bromophenyl)-4-(1-methylbenzimidazol-2-yl)quinoline (CID 7024920) is 2-(4-bromophenyl)-4-(1-methylbenzimidazol-2-yl)quinoline.
What is the SMILES notation for 2-(4-bromophenyl)-4-(1-methylbenzimidazol-2-yl)quinoline?
The canonical SMILES for 2-(4-bromophenyl)-4-(1-methylbenzimidazol-2-yl)quinoline is Cn1c(-c2cc(-c3ccc(Br)cc3)nc3ccccc23)nc2ccccc21.
What is the InChIKey of 2-(4-bromophenyl)-4-(1-methylbenzimidazol-2-yl)quinoline?
The InChIKey is XRRLWCSBWLUOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16BrN3/c1-27-22-9-5-4-8-20(22)26-23(27)18-14-21(15-10-12-16(24)13-11-15)25-19-7-3-2-6-17(18)19/h2-14H,1H3.
What are the key properties of 2-(4-bromophenyl)-4-(1-methylbenzimidazol-2-yl)quinoline?
2-(4-bromophenyl)-4-(1-methylbenzimidazol-2-yl)quinoline has a molecular weight of 414.31 g/mol, XLogP of 6.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4-(1-methylbenzimidazol-2-yl)quinoline is sourced from PubChem (CID 7024920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).