N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-N-methylacetamide

C12H14ClN3O — CID 18733884

IUPACN-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-N-methylacetamide
SMILESCC(=O)N(C)Cc1nc2ccc(Cl)cc2n1C
InChIInChI=1S/C12H14ClN3O/c1-8(17)15(2)7-12-14-10-5-4-9(13)6-11(10)16(12)3/h4-6H,7H2,1-3H3
InChIKeyNIGVBPGZISPABL-UHFFFAOYSA-N
MW251.72 g/mol
LogP2.20
Rot. Bonds2

About N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-N-methylacetamide

N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-N-methylacetamide (PubChem CID 18733884) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-N-methylacetamide
PubChem CID18733884
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC NameN-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-N-methylacetamide
SMILESCC(=O)N(C)Cc1nc2ccc(Cl)cc2n1C
InChIInChI=1S/C12H14ClN3O/c1-8(17)15(2)7-12-14-10-5-4-9(13)6-11(10)16(12)3/h4-6H,7H2,1-3H3
InChIKeyNIGVBPGZISPABL-UHFFFAOYSA-N
XLogP2.20
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-N-methylacetamide 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

2-(6-chloro-1-methylbenzimidazol-2-yl)acetic acid
CID 83849999
2-[(5-chloro-1-methylbenzimidazol-2-yl)methyl-methylamino]acetic acid
CID 119906378
3-[(5-chloro-1-methylbenzimidazol-2-yl)methyl-methylamino]propanoic acid
CID 119912291
2-[(dimethylamino)methyl]-3-methylbenzimidazole-5-carboxylic acid
CID 83967736
N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]-N-methylacetamide
CID 18734035
6-chloro-1-methylbenzimidazole-2-carboxylic acid
CID 83868060
N-[(6-chloro-1-propylbenzimidazol-2-yl)methyl]-3-iodo-N-methylbenzamide
CID 18733942
3-bromo-N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-4-fluoro-N-(3-methylbutyl)benzamide
CID 18732827
2-(6-chloro-1-methylbenzimidazol-2-yl)sulfanylacetic acid
CID 115470221
3-[2-[6-chloro-2-(chloromethyl)benzimidazol-1-yl]ethyl]-1,1-dimethylurea
CID 83115200
6-chloro-2-[(2,4-dichlorophenoxy)methyl]-1-methylbenzimidazole
CID 46310358
2-[[(4-chlorophenyl)carbamoyl-methylamino]methyl]-N,N,1-trimethylbenzimidazole-5-carboxamide
CID 53104233

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-N-methylacetamide?
The IUPAC name of N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-N-methylacetamide (CID 18733884) is N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-N-methylacetamide.
What is the SMILES notation for N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-N-methylacetamide?
The canonical SMILES for N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-N-methylacetamide is CC(=O)N(C)Cc1nc2ccc(Cl)cc2n1C.
What is the InChIKey of N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-N-methylacetamide?
The InChIKey is NIGVBPGZISPABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O/c1-8(17)15(2)7-12-14-10-5-4-9(13)6-11(10)16(12)3/h4-6H,7H2,1-3H3.
What are the key properties of N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-N-methylacetamide?
N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-N-methylacetamide has a molecular weight of 251.72 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-N-methylacetamide is sourced from PubChem (CID 18733884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).