2-[2-(2-chloroethyl)benzimidazol-1-yl]-N-ethyl-N-methylpropanamide

C15H20ClN3O — CID 103112366

IUPAC2-[2-(2-chloroethyl)benzimidazol-1-yl]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)n1c(CCCl)nc2ccccc21
InChIInChI=1S/C15H20ClN3O/c1-4-18(3)15(20)11(2)19-13-8-6-5-7-12(13)17-14(19)9-10-16/h5-8,11H,4,9-10H2,1-3H3
InChIKeyUZFIEWZQDKJFQK-UHFFFAOYSA-N
MW293.80 g/mol
LogP2.86
Rot. Bonds5

About 2-[2-(2-chloroethyl)benzimidazol-1-yl]-N-ethyl-N-methylpropanamide

2-[2-(2-chloroethyl)benzimidazol-1-yl]-N-ethyl-N-methylpropanamide (PubChem CID 103112366) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is 2-[2-(2-chloroethyl)benzimidazol-1-yl]-N-ethyl-N-methylpropanamide.

Molecular Properties

Compound Name2-[2-(2-chloroethyl)benzimidazol-1-yl]-N-ethyl-N-methylpropanamide
PubChem CID103112366
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name2-[2-(2-chloroethyl)benzimidazol-1-yl]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)n1c(CCCl)nc2ccccc21
InChIInChI=1S/C15H20ClN3O/c1-4-18(3)15(20)11(2)19-13-8-6-5-7-12(13)17-14(19)9-10-16/h5-8,11H,4,9-10H2,1-3H3
InChIKeyUZFIEWZQDKJFQK-UHFFFAOYSA-N
XLogP2.86
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-chloroethyl)-7-methylbenzimidazol-1-yl]-N-ethyl-N-methylpropanamide
CID 103112311
2-[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]-N-ethyl-N-methylpropanamide
CID 103112358
2-[2-(chloromethyl)benzimidazol-1-yl]-N,N-dimethylpropanamide
CID 61467796
2-(2-chloroethyl)-1-(3-ethylpentan-2-yl)benzimidazole
CID 63838567
(2S)-2-(2-propylbenzimidazol-1-yl)propanoic acid
CID 7424145
2-(2-chloroethyl)-1-(1-phenylethyl)benzimidazole
CID 43666303
2-(2-butylbenzimidazol-1-yl)propanoic acid;hydrochloride
CID 75530812
(2S)-2-(2-ethylbenzimidazol-1-yl)propanamide
CID 94671511
(2S)-N-methyl-2-(2-propylbenzimidazol-1-yl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]propanamide
CID 126427263
2-(2-chloroethyl)-1-(1-pyridin-4-ylethyl)benzimidazole
CID 43667584
2-[5-chloro-2-(2-chloroethyl)-6-fluorobenzimidazol-1-yl]-N,N-dimethylpropanamide
CID 66112385
2-(2-chloroethyl)-1-(4-methylsulfanylbutan-2-yl)benzimidazole
CID 113477871

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chloroethyl)benzimidazol-1-yl]-N-ethyl-N-methylpropanamide?
The IUPAC name of 2-[2-(2-chloroethyl)benzimidazol-1-yl]-N-ethyl-N-methylpropanamide (CID 103112366) is 2-[2-(2-chloroethyl)benzimidazol-1-yl]-N-ethyl-N-methylpropanamide.
What is the SMILES notation for 2-[2-(2-chloroethyl)benzimidazol-1-yl]-N-ethyl-N-methylpropanamide?
The canonical SMILES for 2-[2-(2-chloroethyl)benzimidazol-1-yl]-N-ethyl-N-methylpropanamide is CCN(C)C(=O)C(C)n1c(CCCl)nc2ccccc21.
What is the InChIKey of 2-[2-(2-chloroethyl)benzimidazol-1-yl]-N-ethyl-N-methylpropanamide?
The InChIKey is UZFIEWZQDKJFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c1-4-18(3)15(20)11(2)19-13-8-6-5-7-12(13)17-14(19)9-10-16/h5-8,11H,4,9-10H2,1-3H3.
What are the key properties of 2-[2-(2-chloroethyl)benzimidazol-1-yl]-N-ethyl-N-methylpropanamide?
2-[2-(2-chloroethyl)benzimidazol-1-yl]-N-ethyl-N-methylpropanamide has a molecular weight of 293.80 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chloroethyl)benzimidazol-1-yl]-N-ethyl-N-methylpropanamide is sourced from PubChem (CID 103112366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).