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

C15H13ClN2O2 — CID 82174534

IUPAC5-chloro-6-(1-hydroxy-2-phenylethyl)-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2cc(Cl)c(C(O)Cc3ccccc3)cc2[nH]1
InChIInChI=1S/C15H13ClN2O2/c16-11-8-13-12(17-15(20)18-13)7-10(11)14(19)6-9-4-2-1-3-5-9/h1-5,7-8,14,19H,6H2,(H2,17,18,20)
InChIKeyCRLDKEVHANPHSH-UHFFFAOYSA-N
MW288.73 g/mol
LogP2.79
Rot. Bonds3

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

5-chloro-6-(1-hydroxy-2-phenylethyl)-1,3-dihydrobenzimidazol-2-one (PubChem CID 82174534) has the molecular formula C15H13ClN2O2 and a molecular weight of 288.73 g/mol. Its IUPAC name is 5-chloro-6-(1-hydroxy-2-phenylethyl)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-chloro-6-(1-hydroxy-2-phenylethyl)-1,3-dihydrobenzimidazol-2-one
PubChem CID82174534
Molecular FormulaC15H13ClN2O2
Molecular Weight288.73 g/mol
Exact Mass288.07
IUPAC Name5-chloro-6-(1-hydroxy-2-phenylethyl)-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2cc(Cl)c(C(O)Cc3ccccc3)cc2[nH]1
InChIInChI=1S/C15H13ClN2O2/c16-11-8-13-12(17-15(20)18-13)7-10(11)14(19)6-9-4-2-1-3-5-9/h1-5,7-8,14,19H,6H2,(H2,17,18,20)
InChIKeyCRLDKEVHANPHSH-UHFFFAOYSA-N
XLogP2.79
TPSA68.88 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 5-chloro-6-(1-hydroxy-2-phenylethyl)-1,3-dihydrobenzimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(1-hydroxy-2-phenylethyl)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-chloro-6-(1-hydroxy-2-phenylethyl)-1,3-dihydrobenzimidazol-2-one (CID 82174534) is 5-chloro-6-(1-hydroxy-2-phenylethyl)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-chloro-6-(1-hydroxy-2-phenylethyl)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-chloro-6-(1-hydroxy-2-phenylethyl)-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2cc(Cl)c(C(O)Cc3ccccc3)cc2[nH]1.
What is the InChIKey of 5-chloro-6-(1-hydroxy-2-phenylethyl)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is CRLDKEVHANPHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O2/c16-11-8-13-12(17-15(20)18-13)7-10(11)14(19)6-9-4-2-1-3-5-9/h1-5,7-8,14,19H,6H2,(H2,17,18,20).
What are the key properties of 5-chloro-6-(1-hydroxy-2-phenylethyl)-1,3-dihydrobenzimidazol-2-one?
5-chloro-6-(1-hydroxy-2-phenylethyl)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 288.73 g/mol, XLogP of 2.79, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(1-hydroxy-2-phenylethyl)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 82174534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).