4-bromo-6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1H-benzimidazole

C20H23BrN4O — CID 25105246

IUPAC4-bromo-6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1H-benzimidazole
SMILESCOc1ccccc1N1CCN(CCc2cc(Br)c3nc[nH]c3c2)CC1
InChIInChI=1S/C20H23BrN4O/c1-26-19-5-3-2-4-18(19)25-10-8-24(9-11-25)7-6-15-12-16(21)20-17(13-15)22-14-23-20/h2-5,12-14H,6-11H2,1H3,(H,22,23)
InChIKeyKWGRVVZSKCENNC-UHFFFAOYSA-N
MW415.34 g/mol
LogP3.70
Rot. Bonds5

About 4-bromo-6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1H-benzimidazole

4-bromo-6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1H-benzimidazole (PubChem CID 25105246) has the molecular formula C20H23BrN4O and a molecular weight of 415.34 g/mol. Its IUPAC name is 4-bromo-6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1H-benzimidazole.

Molecular Properties

Compound Name4-bromo-6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1H-benzimidazole
PubChem CID25105246
Molecular FormulaC20H23BrN4O
Molecular Weight415.34 g/mol
Exact Mass414.11
IUPAC Name4-bromo-6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1H-benzimidazole
SMILESCOc1ccccc1N1CCN(CCc2cc(Br)c3nc[nH]c3c2)CC1
InChIInChI=1S/C20H23BrN4O/c1-26-19-5-3-2-4-18(19)25-10-8-24(9-11-25)7-6-15-12-16(21)20-17(13-15)22-14-23-20/h2-5,12-14H,6-11H2,1H3,(H,22,23)
InChIKeyKWGRVVZSKCENNC-UHFFFAOYSA-N
XLogP3.70
TPSA44.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.34
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-bromo-6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1H-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-bromo-6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1H-benzimidazole?
The IUPAC name of 4-bromo-6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1H-benzimidazole (CID 25105246) is 4-bromo-6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1H-benzimidazole.
What is the SMILES notation for 4-bromo-6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1H-benzimidazole?
The canonical SMILES for 4-bromo-6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1H-benzimidazole is COc1ccccc1N1CCN(CCc2cc(Br)c3nc[nH]c3c2)CC1.
What is the InChIKey of 4-bromo-6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1H-benzimidazole?
The InChIKey is KWGRVVZSKCENNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN4O/c1-26-19-5-3-2-4-18(19)25-10-8-24(9-11-25)7-6-15-12-16(21)20-17(13-15)22-14-23-20/h2-5,12-14H,6-11H2,1H3,(H,22,23).
What are the key properties of 4-bromo-6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1H-benzimidazole?
4-bromo-6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1H-benzimidazole has a molecular weight of 415.34 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1H-benzimidazole is sourced from PubChem (CID 25105246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).