5-[1-chloro-2-(2-chlorophenyl)ethyl]-1,3-dihydrobenzimidazol-2-one

C15H12Cl2N2O — CID 61085374

IUPAC5-[1-chloro-2-(2-chlorophenyl)ethyl]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(C(Cl)Cc3ccccc3Cl)cc2[nH]1
InChIInChI=1S/C15H12Cl2N2O/c16-11-4-2-1-3-9(11)7-12(17)10-5-6-13-14(8-10)19-15(20)18-13/h1-6,8,12H,7H2,(H2,18,19,20)
InChIKeyCJRQEANZKHZAGV-UHFFFAOYSA-N
MW307.18 g/mol
LogP4.03
Rot. Bonds3

About 5-[1-chloro-2-(2-chlorophenyl)ethyl]-1,3-dihydrobenzimidazol-2-one

5-[1-chloro-2-(2-chlorophenyl)ethyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 61085374) has the molecular formula C15H12Cl2N2O and a molecular weight of 307.18 g/mol. Its IUPAC name is 5-[1-chloro-2-(2-chlorophenyl)ethyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[1-chloro-2-(2-chlorophenyl)ethyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID61085374
Molecular FormulaC15H12Cl2N2O
Molecular Weight307.18 g/mol
Exact Mass306.03
IUPAC Name5-[1-chloro-2-(2-chlorophenyl)ethyl]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(C(Cl)Cc3ccccc3Cl)cc2[nH]1
InChIInChI=1S/C15H12Cl2N2O/c16-11-4-2-1-3-9(11)7-12(17)10-5-6-13-14(8-10)19-15(20)18-13/h1-6,8,12H,7H2,(H2,18,19,20)
InChIKeyCJRQEANZKHZAGV-UHFFFAOYSA-N
XLogP4.03
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.18
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[1-chloro-2-(2-chlorophenyl)ethyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[1-chloro-2-(2-chlorophenyl)ethyl]-1,3-dihydrobenzimidazol-2-one (CID 61085374) is 5-[1-chloro-2-(2-chlorophenyl)ethyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[1-chloro-2-(2-chlorophenyl)ethyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[1-chloro-2-(2-chlorophenyl)ethyl]-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2ccc(C(Cl)Cc3ccccc3Cl)cc2[nH]1.
What is the InChIKey of 5-[1-chloro-2-(2-chlorophenyl)ethyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is CJRQEANZKHZAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O/c16-11-4-2-1-3-9(11)7-12(17)10-5-6-13-14(8-10)19-15(20)18-13/h1-6,8,12H,7H2,(H2,18,19,20).
What are the key properties of 5-[1-chloro-2-(2-chlorophenyl)ethyl]-1,3-dihydrobenzimidazol-2-one?
5-[1-chloro-2-(2-chlorophenyl)ethyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 307.18 g/mol, XLogP of 4.03, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-chloro-2-(2-chlorophenyl)ethyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 61085374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).