1-[4-[4-(6-bromo-1H-benzimidazol-2-yl)phenyl]piperazin-1-yl]ethanone

C19H19BrN4O — CID 103597100

IUPAC1-[4-[4-(6-bromo-1H-benzimidazol-2-yl)phenyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc(-c3nc4ccc(Br)cc4[nH]3)cc2)CC1
InChIInChI=1S/C19H19BrN4O/c1-13(25)23-8-10-24(11-9-23)16-5-2-14(3-6-16)19-21-17-7-4-15(20)12-18(17)22-19/h2-7,12H,8-11H2,1H3,(H,21,22)
InChIKeyHHIQGXQUYMXZIB-UHFFFAOYSA-N
MW399.29 g/mol
LogP3.66
Rot. Bonds2

About 1-[4-[4-(6-bromo-1H-benzimidazol-2-yl)phenyl]piperazin-1-yl]ethanone

1-[4-[4-(6-bromo-1H-benzimidazol-2-yl)phenyl]piperazin-1-yl]ethanone (PubChem CID 103597100) has the molecular formula C19H19BrN4O and a molecular weight of 399.29 g/mol. Its IUPAC name is 1-[4-[4-(6-bromo-1H-benzimidazol-2-yl)phenyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(6-bromo-1H-benzimidazol-2-yl)phenyl]piperazin-1-yl]ethanone
PubChem CID103597100
Molecular FormulaC19H19BrN4O
Molecular Weight399.29 g/mol
Exact Mass398.07
IUPAC Name1-[4-[4-(6-bromo-1H-benzimidazol-2-yl)phenyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc(-c3nc4ccc(Br)cc4[nH]3)cc2)CC1
InChIInChI=1S/C19H19BrN4O/c1-13(25)23-8-10-24(11-9-23)16-5-2-14(3-6-16)19-21-17-7-4-15(20)12-18(17)22-19/h2-7,12H,8-11H2,1H3,(H,21,22)
InChIKeyHHIQGXQUYMXZIB-UHFFFAOYSA-N
XLogP3.66
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.29
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

Analyze 1-[4-[4-(6-bromo-1H-benzimidazol-2-yl)phenyl]piperazin-1-yl]ethanone 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

2-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]-3H-benzimidazole-5-carboxamide
CID 10113332
1-[4-[2-(6-chloro-1H-indazol-3-yl)-3H-benzimidazol-5-yl]piperazin-1-yl]ethanone
CID 135819874
4-[4-[5-[2-(4-morpholin-4-ylphenyl)-3H-benzimidazol-5-yl]-1,3,4-oxadiazol-2-yl]phenyl]morpholine
CID 67114161
4-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]aniline
CID 163663064
(3-bromophenyl)-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]methanone
CID 110643369
4-[6-[2-(4-carboxyphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]benzoic acid
CID 1211927
2-(4-morpholin-4-ylphenyl)-3H-benzimidazol-5-amine
CID 17325486
9-methyl-3,6-bis[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]carbazole
CID 102218320
4-[6-(6-piperazin-1-yl-1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]phenol;trihydrochloride
CID 159203040
N,2-bis(4-morpholin-4-ylphenyl)-3H-benzimidazole-5-carboxamide
CID 67687499
4-[6-[5-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-1H-benzimidazol-2-yl]phenol
CID 143188239
2-[2-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-3H-benzimidazol-5-yl]-1-(4-morpholin-4-ylphenyl)ethanone
CID 149226429

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(6-bromo-1H-benzimidazol-2-yl)phenyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-(6-bromo-1H-benzimidazol-2-yl)phenyl]piperazin-1-yl]ethanone (CID 103597100) is 1-[4-[4-(6-bromo-1H-benzimidazol-2-yl)phenyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-(6-bromo-1H-benzimidazol-2-yl)phenyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-(6-bromo-1H-benzimidazol-2-yl)phenyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2ccc(-c3nc4ccc(Br)cc4[nH]3)cc2)CC1.
What is the InChIKey of 1-[4-[4-(6-bromo-1H-benzimidazol-2-yl)phenyl]piperazin-1-yl]ethanone?
The InChIKey is HHIQGXQUYMXZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN4O/c1-13(25)23-8-10-24(11-9-23)16-5-2-14(3-6-16)19-21-17-7-4-15(20)12-18(17)22-19/h2-7,12H,8-11H2,1H3,(H,21,22).
What are the key properties of 1-[4-[4-(6-bromo-1H-benzimidazol-2-yl)phenyl]piperazin-1-yl]ethanone?
1-[4-[4-(6-bromo-1H-benzimidazol-2-yl)phenyl]piperazin-1-yl]ethanone has a molecular weight of 399.29 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(6-bromo-1H-benzimidazol-2-yl)phenyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 103597100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).