2-(2-chlorobenzimidazol-1-yl)-1-(4-methoxy-2-pyridinyl)ethanone

C15H12ClN3O2 — CID 19846084

IUPAC2-(2-chlorobenzimidazol-1-yl)-1-(4-methoxy-2-pyridinyl)ethanone
SMILESCOc1ccnc(C(=O)Cn2c(Cl)nc3ccccc32)c1
InChIInChI=1S/C15H12ClN3O2/c1-21-10-6-7-17-12(8-10)14(20)9-19-13-5-3-2-4-11(13)18-15(19)16/h2-8H,9H2,1H3
InChIKeyHIFPCBLJDQFQNC-UHFFFAOYSA-N
MW301.73 g/mol
LogP2.98
Rot. Bonds4

About 2-(2-chlorobenzimidazol-1-yl)-1-(4-methoxy-2-pyridinyl)ethanone

2-(2-chlorobenzimidazol-1-yl)-1-(4-methoxy-2-pyridinyl)ethanone (PubChem CID 19846084) has the molecular formula C15H12ClN3O2 and a molecular weight of 301.73 g/mol. Its IUPAC name is 2-(2-chlorobenzimidazol-1-yl)-1-(4-methoxy-2-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(2-chlorobenzimidazol-1-yl)-1-(4-methoxy-2-pyridinyl)ethanone
PubChem CID19846084
Molecular FormulaC15H12ClN3O2
Molecular Weight301.73 g/mol
Exact Mass301.06
IUPAC Name2-(2-chlorobenzimidazol-1-yl)-1-(4-methoxy-2-pyridinyl)ethanone
SMILESCOc1ccnc(C(=O)Cn2c(Cl)nc3ccccc32)c1
InChIInChI=1S/C15H12ClN3O2/c1-21-10-6-7-17-12(8-10)14(20)9-19-13-5-3-2-4-11(13)18-15(19)16/h2-8H,9H2,1H3
InChIKeyHIFPCBLJDQFQNC-UHFFFAOYSA-N
XLogP2.98
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-chloro-6-methoxybenzimidazol-1-yl)-N,N-dimethylacetamide
CID 155143022
2-(2-chlorobenzimidazol-1-yl)-N,N-di(propan-2-yl)acetamide
CID 1448986
2-[2-(3-hydroxypropylamino)benzimidazol-1-yl]-1-(4-methoxyphenyl)ethanone
CID 2850347
2-(2-chloro-6-methoxybenzimidazol-1-yl)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 155142993
2-[2-(2,5-dimethoxyphenyl)benzimidazol-1-yl]acetic acid
CID 86717111
2-[2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N-(3-methoxyphenyl)acetamide
CID 17032167
N-[1-[1-[2-(4-chlorophenyl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methoxybenzamide
CID 17010239
(E)-3-(4-methoxy-2-pyridinyl)-1-(1-methylbenzimidazol-2-yl)prop-2-en-1-one
CID 177248548
methyl 2-[2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]acetate
CID 86717115
N-[1-[1-[2-(4-chlorophenyl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(4-methoxyphenyl)acetamide
CID 16972817
2-[2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(4-methoxyphenyl)acetamide
CID 51066936
methyl 2-[1-chloro-2-(4-methoxypyridine-2-carbonyl)indol-3-yl]acetate
CID 148919144

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorobenzimidazol-1-yl)-1-(4-methoxy-2-pyridinyl)ethanone?
The IUPAC name of 2-(2-chlorobenzimidazol-1-yl)-1-(4-methoxy-2-pyridinyl)ethanone (CID 19846084) is 2-(2-chlorobenzimidazol-1-yl)-1-(4-methoxy-2-pyridinyl)ethanone.
What is the SMILES notation for 2-(2-chlorobenzimidazol-1-yl)-1-(4-methoxy-2-pyridinyl)ethanone?
The canonical SMILES for 2-(2-chlorobenzimidazol-1-yl)-1-(4-methoxy-2-pyridinyl)ethanone is COc1ccnc(C(=O)Cn2c(Cl)nc3ccccc32)c1.
What is the InChIKey of 2-(2-chlorobenzimidazol-1-yl)-1-(4-methoxy-2-pyridinyl)ethanone?
The InChIKey is HIFPCBLJDQFQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2/c1-21-10-6-7-17-12(8-10)14(20)9-19-13-5-3-2-4-11(13)18-15(19)16/h2-8H,9H2,1H3.
What are the key properties of 2-(2-chlorobenzimidazol-1-yl)-1-(4-methoxy-2-pyridinyl)ethanone?
2-(2-chlorobenzimidazol-1-yl)-1-(4-methoxy-2-pyridinyl)ethanone has a molecular weight of 301.73 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorobenzimidazol-1-yl)-1-(4-methoxy-2-pyridinyl)ethanone is sourced from PubChem (CID 19846084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).