3-[5-chloro-2-(2-chloroethyl)benzimidazol-1-yl]-N-cyclopropylpropanamide

C15H17Cl2N3O — CID 79378569

IUPAC3-[5-chloro-2-(2-chloroethyl)benzimidazol-1-yl]-N-cyclopropylpropanamide
SMILESO=C(CCn1c(CCCl)nc2cc(Cl)ccc21)NC1CC1
InChIInChI=1S/C15H17Cl2N3O/c16-7-5-14-19-12-9-10(17)1-4-13(12)20(14)8-6-15(21)18-11-2-3-11/h1,4,9,11H,2-3,5-8H2,(H,18,21)
InChIKeyVHHVDKRNMWZTQR-UHFFFAOYSA-N
MW326.23 g/mol
LogP3.14
Rot. Bonds6

About 3-[5-chloro-2-(2-chloroethyl)benzimidazol-1-yl]-N-cyclopropylpropanamide

3-[5-chloro-2-(2-chloroethyl)benzimidazol-1-yl]-N-cyclopropylpropanamide (PubChem CID 79378569) has the molecular formula C15H17Cl2N3O and a molecular weight of 326.23 g/mol. Its IUPAC name is 3-[5-chloro-2-(2-chloroethyl)benzimidazol-1-yl]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-[5-chloro-2-(2-chloroethyl)benzimidazol-1-yl]-N-cyclopropylpropanamide
PubChem CID79378569
Molecular FormulaC15H17Cl2N3O
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name3-[5-chloro-2-(2-chloroethyl)benzimidazol-1-yl]-N-cyclopropylpropanamide
SMILESO=C(CCn1c(CCCl)nc2cc(Cl)ccc21)NC1CC1
InChIInChI=1S/C15H17Cl2N3O/c16-7-5-14-19-12-9-10(17)1-4-13(12)20(14)8-6-15(21)18-11-2-3-11/h1,4,9,11H,2-3,5-8H2,(H,18,21)
InChIKeyVHHVDKRNMWZTQR-UHFFFAOYSA-N
XLogP3.14
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[5-chloro-2-(2-chloroethyl)benzimidazol-1-yl]propanoate
CID 61292993
3-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]-N-cyclopropylpropanamide
CID 79401244
3-[2-(chloromethyl)-5-fluoro-6-methylbenzimidazol-1-yl]-N-cyclopropylpropanamide
CID 103593840
3-[5-bromo-2-(chloromethyl)-6-fluorobenzimidazol-1-yl]-N-cyclopropylpropanamide
CID 79377835
N-cyclopropyl-3-(2-ethylbenzimidazol-1-yl)propanamide
CID 115602213
3-[5-chloro-1-(3-oxobutyl)benzimidazol-2-yl]propanoic acid
CID 82332498
5-chloro-2-(2-chloroethyl)-1-(2-propan-2-yloxyethyl)benzimidazole
CID 113450562
5-chloro-2-(2-chloroethyl)-1-(2-pyridin-4-ylethyl)benzimidazole
CID 60902566
2-[3-[[5-chloro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]-N-cyclopropylacetamide
CID 67975549
4-[2-(aminomethyl)-5-chlorobenzimidazol-1-yl]butan-2-one
CID 82332544
3-[5-chloro-2-(2-chloroethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine
CID 43666496
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-cyclopropylacetamide
CID 2651947

Frequently Asked Questions

What is the IUPAC name of 3-[5-chloro-2-(2-chloroethyl)benzimidazol-1-yl]-N-cyclopropylpropanamide?
The IUPAC name of 3-[5-chloro-2-(2-chloroethyl)benzimidazol-1-yl]-N-cyclopropylpropanamide (CID 79378569) is 3-[5-chloro-2-(2-chloroethyl)benzimidazol-1-yl]-N-cyclopropylpropanamide.
What is the SMILES notation for 3-[5-chloro-2-(2-chloroethyl)benzimidazol-1-yl]-N-cyclopropylpropanamide?
The canonical SMILES for 3-[5-chloro-2-(2-chloroethyl)benzimidazol-1-yl]-N-cyclopropylpropanamide is O=C(CCn1c(CCCl)nc2cc(Cl)ccc21)NC1CC1.
What is the InChIKey of 3-[5-chloro-2-(2-chloroethyl)benzimidazol-1-yl]-N-cyclopropylpropanamide?
The InChIKey is VHHVDKRNMWZTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N3O/c16-7-5-14-19-12-9-10(17)1-4-13(12)20(14)8-6-15(21)18-11-2-3-11/h1,4,9,11H,2-3,5-8H2,(H,18,21).
What are the key properties of 3-[5-chloro-2-(2-chloroethyl)benzimidazol-1-yl]-N-cyclopropylpropanamide?
3-[5-chloro-2-(2-chloroethyl)benzimidazol-1-yl]-N-cyclopropylpropanamide has a molecular weight of 326.23 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-chloro-2-(2-chloroethyl)benzimidazol-1-yl]-N-cyclopropylpropanamide is sourced from PubChem (CID 79378569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).