6-(2-chloro-3-methylphenyl)-1,6-dihydrobenzimidazol-2-one

C14H11ClN2O — CID 155295276

IUPAC6-(2-chloro-3-methylphenyl)-1,6-dihydrobenzimidazol-2-one
SMILESCc1cccc(C2C=CC3=NC(=O)NC3=C2)c1Cl
InChIInChI=1S/C14H11ClN2O/c1-8-3-2-4-10(13(8)15)9-5-6-11-12(7-9)17-14(18)16-11/h2-7,9H,1H3,(H,17,18)
InChIKeyVZTYVGILVZEWGJ-UHFFFAOYSA-N
MW258.71 g/mol
LogP3.35
Rot. Bonds1

About 6-(2-chloro-3-methylphenyl)-1,6-dihydrobenzimidazol-2-one

6-(2-chloro-3-methylphenyl)-1,6-dihydrobenzimidazol-2-one (PubChem CID 155295276) has the molecular formula C14H11ClN2O and a molecular weight of 258.71 g/mol. Its IUPAC name is 6-(2-chloro-3-methylphenyl)-1,6-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name6-(2-chloro-3-methylphenyl)-1,6-dihydrobenzimidazol-2-one
PubChem CID155295276
Molecular FormulaC14H11ClN2O
Molecular Weight258.71 g/mol
Exact Mass258.06
IUPAC Name6-(2-chloro-3-methylphenyl)-1,6-dihydrobenzimidazol-2-one
SMILESCc1cccc(C2C=CC3=NC(=O)NC3=C2)c1Cl
InChIInChI=1S/C14H11ClN2O/c1-8-3-2-4-10(13(8)15)9-5-6-11-12(7-9)17-14(18)16-11/h2-7,9H,1H3,(H,17,18)
InChIKeyVZTYVGILVZEWGJ-UHFFFAOYSA-N
XLogP3.35
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-3-methylphenyl)-1,6-dihydrobenzimidazol-2-one?
The IUPAC name of 6-(2-chloro-3-methylphenyl)-1,6-dihydrobenzimidazol-2-one (CID 155295276) is 6-(2-chloro-3-methylphenyl)-1,6-dihydrobenzimidazol-2-one.
What is the SMILES notation for 6-(2-chloro-3-methylphenyl)-1,6-dihydrobenzimidazol-2-one?
The canonical SMILES for 6-(2-chloro-3-methylphenyl)-1,6-dihydrobenzimidazol-2-one is Cc1cccc(C2C=CC3=NC(=O)NC3=C2)c1Cl.
What is the InChIKey of 6-(2-chloro-3-methylphenyl)-1,6-dihydrobenzimidazol-2-one?
The InChIKey is VZTYVGILVZEWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O/c1-8-3-2-4-10(13(8)15)9-5-6-11-12(7-9)17-14(18)16-11/h2-7,9H,1H3,(H,17,18).
What are the key properties of 6-(2-chloro-3-methylphenyl)-1,6-dihydrobenzimidazol-2-one?
6-(2-chloro-3-methylphenyl)-1,6-dihydrobenzimidazol-2-one has a molecular weight of 258.71 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-3-methylphenyl)-1,6-dihydrobenzimidazol-2-one is sourced from PubChem (CID 155295276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).