N-[2-(1H-benzimidazol-2-yl)ethyl]-3-bromobenzamide

C16H14BrN3O — CID 719793

IUPACN-[2-(1H-benzimidazol-2-yl)ethyl]-3-bromobenzamide
SMILESO=C(NCCc1nc2ccccc2[nH]1)c1cccc(Br)c1
InChIInChI=1S/C16H14BrN3O/c17-12-5-3-4-11(10-12)16(21)18-9-8-15-19-13-6-1-2-7-14(13)20-15/h1-7,10H,8-9H2,(H,18,21)(H,19,20)
InChIKeyHKYPRNSPCNMSQK-UHFFFAOYSA-N
MW344.21 g/mol
LogP3.30
Rot. Bonds4

About N-[2-(1H-benzimidazol-2-yl)ethyl]-3-bromobenzamide

N-[2-(1H-benzimidazol-2-yl)ethyl]-3-bromobenzamide (PubChem CID 719793) has the molecular formula C16H14BrN3O and a molecular weight of 344.21 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)ethyl]-3-bromobenzamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)ethyl]-3-bromobenzamide
PubChem CID719793
Molecular FormulaC16H14BrN3O
Molecular Weight344.21 g/mol
Exact Mass343.03
IUPAC NameN-[2-(1H-benzimidazol-2-yl)ethyl]-3-bromobenzamide
SMILESO=C(NCCc1nc2ccccc2[nH]1)c1cccc(Br)c1
InChIInChI=1S/C16H14BrN3O/c17-12-5-3-4-11(10-12)16(21)18-9-8-15-19-13-6-1-2-7-14(13)20-15/h1-7,10H,8-9H2,(H,18,21)(H,19,20)
InChIKeyHKYPRNSPCNMSQK-UHFFFAOYSA-N
XLogP3.30
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[2-(1H-benzimidazol-2-yl)ethyl]-3-bromobenzamide 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

N-(1-ethylbenzimidazol-2-yl)benzamide
CID 872071
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-nitrobenzamide
CID 682223
2-(1H-Benzimidazol-2-yl)-1-(4-methylphenyl)ethanone
CID 2386123
2-(1H-Benzimidazol-2-yl)-1-(4-bromophenyl)ethanone
CID 2392375
2-(3-Bromophenyl)benzimidazole
CID 278822
N-[(1H-1,3-benzodiazol-2-yl)methyl]benzamide
CID 687915
2-Phenylbenzimidazole-4-carboxamide
CID 10823781
2-(piperazin-2-yl)-1H-1,3-benzodiazole-4-carboxamide
CID 18428022
1-[(3R)-1-[(5-bromo-1H-indol-2-yl)carbonyl]pyrrolidin-3-yl]-2-ethyl-1H-1,3-benzodiazole
CID 24776355
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-4-bromobenzamide
CID 25190505
N-(1H-benzimidazol-2-yl)-3-fluorobenzamide
CID 2081457
N-[3-(1H-benzimidazol-2-yl)propyl]-4-fluorobenzamide
CID 3429810

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-3-bromobenzamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-3-bromobenzamide (CID 719793) is N-[2-(1H-benzimidazol-2-yl)ethyl]-3-bromobenzamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)ethyl]-3-bromobenzamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)ethyl]-3-bromobenzamide is O=C(NCCc1nc2ccccc2[nH]1)c1cccc(Br)c1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)ethyl]-3-bromobenzamide?
The InChIKey is HKYPRNSPCNMSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3O/c17-12-5-3-4-11(10-12)16(21)18-9-8-15-19-13-6-1-2-7-14(13)20-15/h1-7,10H,8-9H2,(H,18,21)(H,19,20).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)ethyl]-3-bromobenzamide?
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-bromobenzamide has a molecular weight of 344.21 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)ethyl]-3-bromobenzamide is sourced from PubChem (CID 719793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).