5-(2-chloro-6-methoxyphenyl)-1,3-dihydrobenzimidazol-2-one

C14H11ClN2O2 — CID 122656605

IUPAC5-(2-chloro-6-methoxyphenyl)-1,3-dihydrobenzimidazol-2-one
SMILESCOc1cccc(Cl)c1-c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C14H11ClN2O2/c1-19-12-4-2-3-9(15)13(12)8-5-6-10-11(7-8)17-14(18)16-10/h2-7H,1H3,(H2,16,17,18)
InChIKeyQFOOBTGRDJXRDB-UHFFFAOYSA-N
MW274.71 g/mol
LogP3.19
Rot. Bonds2

About 5-(2-chloro-6-methoxyphenyl)-1,3-dihydrobenzimidazol-2-one

5-(2-chloro-6-methoxyphenyl)-1,3-dihydrobenzimidazol-2-one (PubChem CID 122656605) has the molecular formula C14H11ClN2O2 and a molecular weight of 274.71 g/mol. Its IUPAC name is 5-(2-chloro-6-methoxyphenyl)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-(2-chloro-6-methoxyphenyl)-1,3-dihydrobenzimidazol-2-one
PubChem CID122656605
Molecular FormulaC14H11ClN2O2
Molecular Weight274.71 g/mol
Exact Mass274.05
IUPAC Name5-(2-chloro-6-methoxyphenyl)-1,3-dihydrobenzimidazol-2-one
SMILESCOc1cccc(Cl)c1-c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C14H11ClN2O2/c1-19-12-4-2-3-9(15)13(12)8-5-6-10-11(7-8)17-14(18)16-10/h2-7H,1H3,(H2,16,17,18)
InChIKeyQFOOBTGRDJXRDB-UHFFFAOYSA-N
XLogP3.19
TPSA57.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

CID 122656423
CID 122656423
CID 11046929
CID 11046929
CID 44290045
CID 44290045
CID 44290046
CID 44290046
CID 67545821
CID 67545821
CID 122656432
CID 122656432
CID 122656462
CID 122656462
CID 122656465
CID 122656465
CID 122656475
CID 122656475
CID 122656509
CID 122656509
CID 122656517
CID 122656517
CID 122656520
CID 122656520

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-6-methoxyphenyl)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-(2-chloro-6-methoxyphenyl)-1,3-dihydrobenzimidazol-2-one (CID 122656605) is 5-(2-chloro-6-methoxyphenyl)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-(2-chloro-6-methoxyphenyl)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-(2-chloro-6-methoxyphenyl)-1,3-dihydrobenzimidazol-2-one is COc1cccc(Cl)c1-c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-(2-chloro-6-methoxyphenyl)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is QFOOBTGRDJXRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O2/c1-19-12-4-2-3-9(15)13(12)8-5-6-10-11(7-8)17-14(18)16-10/h2-7H,1H3,(H2,16,17,18).
What are the key properties of 5-(2-chloro-6-methoxyphenyl)-1,3-dihydrobenzimidazol-2-one?
5-(2-chloro-6-methoxyphenyl)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 274.71 g/mol, XLogP of 3.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-6-methoxyphenyl)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 122656605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).