1-[1-(4-bromophenyl)cyclohexa-2,4-dien-1-yl]benzimidazole

C19H15BrN2 — CID 68770605

IUPAC1-[1-(4-bromophenyl)cyclohexa-2,4-dien-1-yl]benzimidazole
SMILESBrc1ccc(C2(n3cnc4ccccc43)C=CC=CC2)cc1
InChIInChI=1S/C19H15BrN2/c20-16-10-8-15(9-11-16)19(12-4-1-5-13-19)22-14-21-17-6-2-3-7-18(17)22/h1-12,14H,13H2
InChIKeyXPHKMXWRFPWWMN-UHFFFAOYSA-N
MW351.25 g/mol
LogP5.06
Rot. Bonds2

About 1-[1-(4-bromophenyl)cyclohexa-2,4-dien-1-yl]benzimidazole

1-[1-(4-bromophenyl)cyclohexa-2,4-dien-1-yl]benzimidazole (PubChem CID 68770605) has the molecular formula C19H15BrN2 and a molecular weight of 351.25 g/mol. Its IUPAC name is 1-[1-(4-bromophenyl)cyclohexa-2,4-dien-1-yl]benzimidazole.

Molecular Properties

Compound Name1-[1-(4-bromophenyl)cyclohexa-2,4-dien-1-yl]benzimidazole
PubChem CID68770605
Molecular FormulaC19H15BrN2
Molecular Weight351.25 g/mol
Exact Mass350.04
IUPAC Name1-[1-(4-bromophenyl)cyclohexa-2,4-dien-1-yl]benzimidazole
SMILESBrc1ccc(C2(n3cnc4ccccc43)C=CC=CC2)cc1
InChIInChI=1S/C19H15BrN2/c20-16-10-8-15(9-11-16)19(12-4-1-5-13-19)22-14-21-17-6-2-3-7-18(17)22/h1-12,14H,13H2
InChIKeyXPHKMXWRFPWWMN-UHFFFAOYSA-N
XLogP5.06
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.25
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[1-(4-bromophenyl)cyclohexa-2,4-dien-1-yl]benzimidazole 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 1-[1-(4-bromophenyl)cyclohexa-2,4-dien-1-yl]benzimidazole?
The IUPAC name of 1-[1-(4-bromophenyl)cyclohexa-2,4-dien-1-yl]benzimidazole (CID 68770605) is 1-[1-(4-bromophenyl)cyclohexa-2,4-dien-1-yl]benzimidazole.
What is the SMILES notation for 1-[1-(4-bromophenyl)cyclohexa-2,4-dien-1-yl]benzimidazole?
The canonical SMILES for 1-[1-(4-bromophenyl)cyclohexa-2,4-dien-1-yl]benzimidazole is Brc1ccc(C2(n3cnc4ccccc43)C=CC=CC2)cc1.
What is the InChIKey of 1-[1-(4-bromophenyl)cyclohexa-2,4-dien-1-yl]benzimidazole?
The InChIKey is XPHKMXWRFPWWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN2/c20-16-10-8-15(9-11-16)19(12-4-1-5-13-19)22-14-21-17-6-2-3-7-18(17)22/h1-12,14H,13H2.
What are the key properties of 1-[1-(4-bromophenyl)cyclohexa-2,4-dien-1-yl]benzimidazole?
1-[1-(4-bromophenyl)cyclohexa-2,4-dien-1-yl]benzimidazole has a molecular weight of 351.25 g/mol, XLogP of 5.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-bromophenyl)cyclohexa-2,4-dien-1-yl]benzimidazole is sourced from PubChem (CID 68770605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).