benzimidazol-1-yl-(5-chloro-2-methoxyphenyl)methanone

C15H11ClN2O2 — CID 718197

IUPACbenzimidazol-1-yl-(5-chloro-2-methoxyphenyl)methanone
SMILESCOc1ccc(Cl)cc1C(=O)n1cnc2ccccc21
InChIInChI=1S/C15H11ClN2O2/c1-20-14-7-6-10(16)8-11(14)15(19)18-9-17-12-4-2-3-5-13(12)18/h2-9H,1H3
InChIKeyGOANEJUYIDYXTL-UHFFFAOYSA-N
MW286.72 g/mol
LogP3.39
Rot. Bonds2

About benzimidazol-1-yl-(5-chloro-2-methoxyphenyl)methanone

benzimidazol-1-yl-(5-chloro-2-methoxyphenyl)methanone (PubChem CID 718197) has the molecular formula C15H11ClN2O2 and a molecular weight of 286.72 g/mol. Its IUPAC name is benzimidazol-1-yl-(5-chloro-2-methoxyphenyl)methanone.

Molecular Properties

Compound Namebenzimidazol-1-yl-(5-chloro-2-methoxyphenyl)methanone
PubChem CID718197
Molecular FormulaC15H11ClN2O2
Molecular Weight286.72 g/mol
Exact Mass286.05
IUPAC Namebenzimidazol-1-yl-(5-chloro-2-methoxyphenyl)methanone
SMILESCOc1ccc(Cl)cc1C(=O)n1cnc2ccccc21
InChIInChI=1S/C15H11ClN2O2/c1-20-14-7-6-10(16)8-11(14)15(19)18-9-17-12-4-2-3-5-13(12)18/h2-9H,1H3
InChIKeyGOANEJUYIDYXTL-UHFFFAOYSA-N
XLogP3.39
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzimidazol-1-yl-(5-chloro-2-methoxyphenyl)methanone?
The IUPAC name of benzimidazol-1-yl-(5-chloro-2-methoxyphenyl)methanone (CID 718197) is benzimidazol-1-yl-(5-chloro-2-methoxyphenyl)methanone.
What is the SMILES notation for benzimidazol-1-yl-(5-chloro-2-methoxyphenyl)methanone?
The canonical SMILES for benzimidazol-1-yl-(5-chloro-2-methoxyphenyl)methanone is COc1ccc(Cl)cc1C(=O)n1cnc2ccccc21.
What is the InChIKey of benzimidazol-1-yl-(5-chloro-2-methoxyphenyl)methanone?
The InChIKey is GOANEJUYIDYXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2/c1-20-14-7-6-10(16)8-11(14)15(19)18-9-17-12-4-2-3-5-13(12)18/h2-9H,1H3.
What are the key properties of benzimidazol-1-yl-(5-chloro-2-methoxyphenyl)methanone?
benzimidazol-1-yl-(5-chloro-2-methoxyphenyl)methanone has a molecular weight of 286.72 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzimidazol-1-yl-(5-chloro-2-methoxyphenyl)methanone is sourced from PubChem (CID 718197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).