5-(2-chloro-5-methylphenyl)-1,3-dihydrobenzimidazol-2-one

C14H11ClN2O — CID 122656499

IUPAC5-(2-chloro-5-methylphenyl)-1,3-dihydrobenzimidazol-2-one
SMILESCc1ccc(Cl)c(-c2ccc3[nH]c(=O)[nH]c3c2)c1
InChIInChI=1S/C14H11ClN2O/c1-8-2-4-11(15)10(6-8)9-3-5-12-13(7-9)17-14(18)16-12/h2-7H,1H3,(H2,16,17,18)
InChIKeyVWQAFOMFUQLFEV-UHFFFAOYSA-N
MW258.71 g/mol
LogP3.49
Rot. Bonds1

About 5-(2-chloro-5-methylphenyl)-1,3-dihydrobenzimidazol-2-one

5-(2-chloro-5-methylphenyl)-1,3-dihydrobenzimidazol-2-one (PubChem CID 122656499) has the molecular formula C14H11ClN2O and a molecular weight of 258.71 g/mol. Its IUPAC name is 5-(2-chloro-5-methylphenyl)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-(2-chloro-5-methylphenyl)-1,3-dihydrobenzimidazol-2-one
PubChem CID122656499
Molecular FormulaC14H11ClN2O
Molecular Weight258.71 g/mol
Exact Mass258.06
IUPAC Name5-(2-chloro-5-methylphenyl)-1,3-dihydrobenzimidazol-2-one
SMILESCc1ccc(Cl)c(-c2ccc3[nH]c(=O)[nH]c3c2)c1
InChIInChI=1S/C14H11ClN2O/c1-8-2-4-11(15)10(6-8)9-3-5-12-13(7-9)17-14(18)16-12/h2-7H,1H3,(H2,16,17,18)
InChIKeyVWQAFOMFUQLFEV-UHFFFAOYSA-N
XLogP3.49
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-5-methylphenyl)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-(2-chloro-5-methylphenyl)-1,3-dihydrobenzimidazol-2-one (CID 122656499) is 5-(2-chloro-5-methylphenyl)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-(2-chloro-5-methylphenyl)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-(2-chloro-5-methylphenyl)-1,3-dihydrobenzimidazol-2-one is Cc1ccc(Cl)c(-c2ccc3[nH]c(=O)[nH]c3c2)c1.
What is the InChIKey of 5-(2-chloro-5-methylphenyl)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is VWQAFOMFUQLFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O/c1-8-2-4-11(15)10(6-8)9-3-5-12-13(7-9)17-14(18)16-12/h2-7H,1H3,(H2,16,17,18).
What are the key properties of 5-(2-chloro-5-methylphenyl)-1,3-dihydrobenzimidazol-2-one?
5-(2-chloro-5-methylphenyl)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 258.71 g/mol, XLogP of 3.49, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-5-methylphenyl)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 122656499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).