2-[7-chloro-2-(2-chloroethyl)benzimidazol-1-yl]propanamide

C12H13Cl2N3O — CID 43667658

IUPAC2-[7-chloro-2-(2-chloroethyl)benzimidazol-1-yl]propanamide
SMILESCC(C(N)=O)n1c(CCCl)nc2cccc(Cl)c21
InChIInChI=1S/C12H13Cl2N3O/c1-7(12(15)18)17-10(5-6-13)16-9-4-2-3-8(14)11(9)17/h2-4,7H,5-6H2,1H3,(H2,15,18)
InChIKeyOXOHAYKVBNPJTA-UHFFFAOYSA-N
MW286.16 g/mol
LogP2.52
Rot. Bonds4

About 2-[7-chloro-2-(2-chloroethyl)benzimidazol-1-yl]propanamide

2-[7-chloro-2-(2-chloroethyl)benzimidazol-1-yl]propanamide (PubChem CID 43667658) has the molecular formula C12H13Cl2N3O and a molecular weight of 286.16 g/mol. Its IUPAC name is 2-[7-chloro-2-(2-chloroethyl)benzimidazol-1-yl]propanamide.

Molecular Properties

Compound Name2-[7-chloro-2-(2-chloroethyl)benzimidazol-1-yl]propanamide
PubChem CID43667658
Molecular FormulaC12H13Cl2N3O
Molecular Weight286.16 g/mol
Exact Mass285.04
IUPAC Name2-[7-chloro-2-(2-chloroethyl)benzimidazol-1-yl]propanamide
SMILESCC(C(N)=O)n1c(CCCl)nc2cccc(Cl)c21
InChIInChI=1S/C12H13Cl2N3O/c1-7(12(15)18)17-10(5-6-13)16-9-4-2-3-8(14)11(9)17/h2-4,7H,5-6H2,1H3,(H2,15,18)
InChIKeyOXOHAYKVBNPJTA-UHFFFAOYSA-N
XLogP2.52
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.16
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-[7-chloro-2-(2-chloroethyl)benzimidazol-1-yl]propanamide 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

7-chloro-2-(2-chloroethyl)-1-(1-methylsulfonylpropan-2-yl)benzimidazole
CID 64643619
methyl 2-[2-(2-chloroethyl)-7-methylbenzimidazol-1-yl]propanoate
CID 115553192
3-(7-chloro-1-propan-2-ylbenzimidazol-2-yl)propanoic acid
CID 54920211
7-chloro-2-(2-chloroethyl)-1-(1-pyridin-2-ylethyl)benzimidazole
CID 43667598
7-chloro-2-(2-chloroethyl)-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazole
CID 62117573
7-chloro-2-(2-chloroethyl)-1-[1-(5-chlorothiophen-2-yl)ethyl]benzimidazole
CID 63547181
7-chloro-2-(2-chloroethyl)-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazole
CID 63545596
2-[2-(2-chloroethyl)-7-methylbenzimidazol-1-yl]-N-ethyl-N-methylpropanamide
CID 103112311
2-[2-(2-chloroethyl)-5-(trifluoromethyl)benzimidazol-1-yl]propanamide
CID 115502224
2-[2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridin-3-yl]propanamide
CID 79301792
7-chloro-2-(2-chloroethyl)-1-(3,5-dimethylphenyl)benzimidazole
CID 43667107
ethyl 2-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]propanoate
CID 61498700

Frequently Asked Questions

What is the IUPAC name of 2-[7-chloro-2-(2-chloroethyl)benzimidazol-1-yl]propanamide?
The IUPAC name of 2-[7-chloro-2-(2-chloroethyl)benzimidazol-1-yl]propanamide (CID 43667658) is 2-[7-chloro-2-(2-chloroethyl)benzimidazol-1-yl]propanamide.
What is the SMILES notation for 2-[7-chloro-2-(2-chloroethyl)benzimidazol-1-yl]propanamide?
The canonical SMILES for 2-[7-chloro-2-(2-chloroethyl)benzimidazol-1-yl]propanamide is CC(C(N)=O)n1c(CCCl)nc2cccc(Cl)c21.
What is the InChIKey of 2-[7-chloro-2-(2-chloroethyl)benzimidazol-1-yl]propanamide?
The InChIKey is OXOHAYKVBNPJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3O/c1-7(12(15)18)17-10(5-6-13)16-9-4-2-3-8(14)11(9)17/h2-4,7H,5-6H2,1H3,(H2,15,18).
What are the key properties of 2-[7-chloro-2-(2-chloroethyl)benzimidazol-1-yl]propanamide?
2-[7-chloro-2-(2-chloroethyl)benzimidazol-1-yl]propanamide has a molecular weight of 286.16 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-chloro-2-(2-chloroethyl)benzimidazol-1-yl]propanamide is sourced from PubChem (CID 43667658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).