2-(2-chloro-6-methoxybenzimidazol-1-yl)-N,N-dimethylacetamide

C12H14ClN3O2 — CID 155143022

IUPAC2-(2-chloro-6-methoxybenzimidazol-1-yl)-N,N-dimethylacetamide
SMILESCOc1ccc2nc(Cl)n(CC(=O)N(C)C)c2c1
InChIInChI=1S/C12H14ClN3O2/c1-15(2)11(17)7-16-10-6-8(18-3)4-5-9(10)14-12(16)13/h4-6H,7H2,1-3H3
InChIKeyMYWAOILGGHKWGX-UHFFFAOYSA-N
MW267.72 g/mol
LogP1.79
Rot. Bonds3

About 2-(2-chloro-6-methoxybenzimidazol-1-yl)-N,N-dimethylacetamide

2-(2-chloro-6-methoxybenzimidazol-1-yl)-N,N-dimethylacetamide (PubChem CID 155143022) has the molecular formula C12H14ClN3O2 and a molecular weight of 267.72 g/mol. Its IUPAC name is 2-(2-chloro-6-methoxybenzimidazol-1-yl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(2-chloro-6-methoxybenzimidazol-1-yl)-N,N-dimethylacetamide
PubChem CID155143022
Molecular FormulaC12H14ClN3O2
Molecular Weight267.72 g/mol
Exact Mass267.08
IUPAC Name2-(2-chloro-6-methoxybenzimidazol-1-yl)-N,N-dimethylacetamide
SMILESCOc1ccc2nc(Cl)n(CC(=O)N(C)C)c2c1
InChIInChI=1S/C12H14ClN3O2/c1-15(2)11(17)7-16-10-6-8(18-3)4-5-9(10)14-12(16)13/h4-6H,7H2,1-3H3
InChIKeyMYWAOILGGHKWGX-UHFFFAOYSA-N
XLogP1.79
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloro-6-methoxybenzimidazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 155142993
2-(2-chlorobenzimidazol-1-yl)-1-(4-methoxy-2-pyridinyl)ethanone
CID 19846084
2-[6-bromo-2-(1-chloroethyl)benzimidazol-1-yl]-N,N-dimethylacetamide
CID 65345135
2-chloro-7-methoxy-3-(2-oxopropyl)quinazolin-4-one
CID 117264209
2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]acetic acid
CID 84810462
2-[2-(2,2-dimethylpropanoyl)-6-methoxybenzimidazol-1-yl]-N-[3-[[2-[2-(2,2-dimethylpropanoyl)-6-methoxybenzimidazol-1-yl]acetyl]-ethylamino]propyl]-N-ethylacetamide
CID 24963331
2-(2-benzoyl-6-methoxybenzimidazol-1-yl)-N,N-dibutylacetamide
CID 11281617
2-(3-tert-butyl-7-methoxy-2-oxoquinoxalin-1-yl)-N-(2,2-dimethylpropyl)-N-ethylacetamide
CID 68997311
2-(2-amino-6-bromobenzimidazol-1-yl)-N,N-dimethylacetamide
CID 65347169
2-(3-tert-butyl-7-methoxy-2-oxoquinoxalin-1-yl)-N-(3,3-dimethylbutyl)-N-ethylacetamide
CID 68999731
3-(4-methoxyphenyl)-N,N-dimethyl-3-oxopropanamide
CID 165177985
1-ethyl-6-methoxybenzimidazol-2-amine
CID 18761807

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-methoxybenzimidazol-1-yl)-N,N-dimethylacetamide?
The IUPAC name of 2-(2-chloro-6-methoxybenzimidazol-1-yl)-N,N-dimethylacetamide (CID 155143022) is 2-(2-chloro-6-methoxybenzimidazol-1-yl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(2-chloro-6-methoxybenzimidazol-1-yl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(2-chloro-6-methoxybenzimidazol-1-yl)-N,N-dimethylacetamide is COc1ccc2nc(Cl)n(CC(=O)N(C)C)c2c1.
What is the InChIKey of 2-(2-chloro-6-methoxybenzimidazol-1-yl)-N,N-dimethylacetamide?
The InChIKey is MYWAOILGGHKWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2/c1-15(2)11(17)7-16-10-6-8(18-3)4-5-9(10)14-12(16)13/h4-6H,7H2,1-3H3.
What are the key properties of 2-(2-chloro-6-methoxybenzimidazol-1-yl)-N,N-dimethylacetamide?
2-(2-chloro-6-methoxybenzimidazol-1-yl)-N,N-dimethylacetamide has a molecular weight of 267.72 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-methoxybenzimidazol-1-yl)-N,N-dimethylacetamide is sourced from PubChem (CID 155143022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).