2-[2-(chloromethyl)benzimidazol-1-yl]-N,N-dimethylpropanamide

C13H16ClN3O — CID 61467796

IUPAC2-[2-(chloromethyl)benzimidazol-1-yl]-N,N-dimethylpropanamide
SMILESCC(C(=O)N(C)C)n1c(CCl)nc2ccccc21
InChIInChI=1S/C13H16ClN3O/c1-9(13(18)16(2)3)17-11-7-5-4-6-10(11)15-12(17)8-14/h4-7,9H,8H2,1-3H3
InChIKeyDQNRITHCPMOUMQ-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.42
Rot. Bonds3

About 2-[2-(chloromethyl)benzimidazol-1-yl]-N,N-dimethylpropanamide

2-[2-(chloromethyl)benzimidazol-1-yl]-N,N-dimethylpropanamide (PubChem CID 61467796) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is 2-[2-(chloromethyl)benzimidazol-1-yl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[2-(chloromethyl)benzimidazol-1-yl]-N,N-dimethylpropanamide
PubChem CID61467796
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name2-[2-(chloromethyl)benzimidazol-1-yl]-N,N-dimethylpropanamide
SMILESCC(C(=O)N(C)C)n1c(CCl)nc2ccccc21
InChIInChI=1S/C13H16ClN3O/c1-9(13(18)16(2)3)17-11-7-5-4-6-10(11)15-12(17)8-14/h4-7,9H,8H2,1-3H3
InChIKeyDQNRITHCPMOUMQ-UHFFFAOYSA-N
XLogP2.42
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.42
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)benzimidazol-1-yl]-N-ethyl-N-methylpropanamide
CID 103112366
2-(chloromethyl)-1-(2-methylpentan-3-yl)benzimidazole
CID 55031992
2-[2-(aminomethyl)benzimidazol-1-yl]propanoic acid
CID 82024672
(2S)-2-(2-ethylbenzimidazol-1-yl)propanamide
CID 94671511
2-(chloromethyl)-1-(1-cyclopropylethyl)benzimidazole
CID 43533654
(2S)-2-(2-propylbenzimidazol-1-yl)propanoic acid
CID 7424145
4-[1-[1-(dimethylamino)-1-oxopropan-2-yl]benzimidazol-2-yl]-N-methylbenzamide
CID 175453669
2-[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropanamide
CID 79293878
3-(2-benzylbenzimidazol-1-yl)butan-2-one
CID 16995648
2-[5-chloro-2-(2-chloroethyl)-6-fluorobenzimidazol-1-yl]-N,N-dimethylpropanamide
CID 66112385
2-(chloromethyl)-1-(1-cyclohexylethyl)benzimidazole
CID 55222184
2-(2-ethylbenzimidazol-1-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide
CID 46976087

Frequently Asked Questions

What is the IUPAC name of 2-[2-(chloromethyl)benzimidazol-1-yl]-N,N-dimethylpropanamide?
The IUPAC name of 2-[2-(chloromethyl)benzimidazol-1-yl]-N,N-dimethylpropanamide (CID 61467796) is 2-[2-(chloromethyl)benzimidazol-1-yl]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[2-(chloromethyl)benzimidazol-1-yl]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[2-(chloromethyl)benzimidazol-1-yl]-N,N-dimethylpropanamide is CC(C(=O)N(C)C)n1c(CCl)nc2ccccc21.
What is the InChIKey of 2-[2-(chloromethyl)benzimidazol-1-yl]-N,N-dimethylpropanamide?
The InChIKey is DQNRITHCPMOUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c1-9(13(18)16(2)3)17-11-7-5-4-6-10(11)15-12(17)8-14/h4-7,9H,8H2,1-3H3.
What are the key properties of 2-[2-(chloromethyl)benzimidazol-1-yl]-N,N-dimethylpropanamide?
2-[2-(chloromethyl)benzimidazol-1-yl]-N,N-dimethylpropanamide has a molecular weight of 265.74 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(chloromethyl)benzimidazol-1-yl]-N,N-dimethylpropanamide is sourced from PubChem (CID 61467796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).