4,7-dibromo-1-(2-methoxyethyl)-2-(4-propan-2-ylphenyl)benzimidazole

C19H20Br2N2O — CID 11775322

IUPAC4,7-dibromo-1-(2-methoxyethyl)-2-(4-propan-2-ylphenyl)benzimidazole
SMILESCOCCn1c(-c2ccc(C(C)C)cc2)nc2c(Br)ccc(Br)c21
InChIInChI=1S/C19H20Br2N2O/c1-12(2)13-4-6-14(7-5-13)19-22-17-15(20)8-9-16(21)18(17)23(19)10-11-24-3/h4-9,12H,10-11H2,1-3H3
InChIKeyLRQUOLCQCSIEAK-UHFFFAOYSA-N
MW452.19 g/mol
LogP6.00
Rot. Bonds5

About 4,7-dibromo-1-(2-methoxyethyl)-2-(4-propan-2-ylphenyl)benzimidazole

4,7-dibromo-1-(2-methoxyethyl)-2-(4-propan-2-ylphenyl)benzimidazole (PubChem CID 11775322) has the molecular formula C19H20Br2N2O and a molecular weight of 452.19 g/mol. Its IUPAC name is 4,7-dibromo-1-(2-methoxyethyl)-2-(4-propan-2-ylphenyl)benzimidazole.

Molecular Properties

Compound Name4,7-dibromo-1-(2-methoxyethyl)-2-(4-propan-2-ylphenyl)benzimidazole
PubChem CID11775322
Molecular FormulaC19H20Br2N2O
Molecular Weight452.19 g/mol
Exact Mass449.99
IUPAC Name4,7-dibromo-1-(2-methoxyethyl)-2-(4-propan-2-ylphenyl)benzimidazole
SMILESCOCCn1c(-c2ccc(C(C)C)cc2)nc2c(Br)ccc(Br)c21
InChIInChI=1S/C19H20Br2N2O/c1-12(2)13-4-6-14(7-5-13)19-22-17-15(20)8-9-16(21)18(17)23(19)10-11-24-3/h4-9,12H,10-11H2,1-3H3
InChIKeyLRQUOLCQCSIEAK-UHFFFAOYSA-N
XLogP6.00
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.19
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4,7-dibromo-1-(2-methoxyethyl)-2-(4-propan-2-ylphenyl)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 4,7-dibromo-1-(2-methoxyethyl)-2-(4-propan-2-ylphenyl)benzimidazole?
The IUPAC name of 4,7-dibromo-1-(2-methoxyethyl)-2-(4-propan-2-ylphenyl)benzimidazole (CID 11775322) is 4,7-dibromo-1-(2-methoxyethyl)-2-(4-propan-2-ylphenyl)benzimidazole.
What is the SMILES notation for 4,7-dibromo-1-(2-methoxyethyl)-2-(4-propan-2-ylphenyl)benzimidazole?
The canonical SMILES for 4,7-dibromo-1-(2-methoxyethyl)-2-(4-propan-2-ylphenyl)benzimidazole is COCCn1c(-c2ccc(C(C)C)cc2)nc2c(Br)ccc(Br)c21.
What is the InChIKey of 4,7-dibromo-1-(2-methoxyethyl)-2-(4-propan-2-ylphenyl)benzimidazole?
The InChIKey is LRQUOLCQCSIEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Br2N2O/c1-12(2)13-4-6-14(7-5-13)19-22-17-15(20)8-9-16(21)18(17)23(19)10-11-24-3/h4-9,12H,10-11H2,1-3H3.
What are the key properties of 4,7-dibromo-1-(2-methoxyethyl)-2-(4-propan-2-ylphenyl)benzimidazole?
4,7-dibromo-1-(2-methoxyethyl)-2-(4-propan-2-ylphenyl)benzimidazole has a molecular weight of 452.19 g/mol, XLogP of 6.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dibromo-1-(2-methoxyethyl)-2-(4-propan-2-ylphenyl)benzimidazole is sourced from PubChem (CID 11775322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).