5-chloro-3-(2-chlorophenyl)-1-methylbenzimidazol-2-one

C14H10Cl2N2O — CID 3061787

IUPAC5-chloro-3-(2-chlorophenyl)-1-methylbenzimidazol-2-one
SMILESCn1c(=O)n(-c2ccccc2Cl)c2cc(Cl)ccc21
InChIInChI=1S/C14H10Cl2N2O/c1-17-12-7-6-9(15)8-13(12)18(14(17)19)11-5-3-2-4-10(11)16/h2-8H,1H3
InChIKeyKTSWOFZVJNYCLP-UHFFFAOYSA-N
MW293.15 g/mol
LogP3.64
Rot. Bonds1

About 5-chloro-3-(2-chlorophenyl)-1-methylbenzimidazol-2-one

5-chloro-3-(2-chlorophenyl)-1-methylbenzimidazol-2-one (PubChem CID 3061787) has the molecular formula C14H10Cl2N2O and a molecular weight of 293.15 g/mol. Its IUPAC name is 5-chloro-3-(2-chlorophenyl)-1-methylbenzimidazol-2-one.

Molecular Properties

Compound Name5-chloro-3-(2-chlorophenyl)-1-methylbenzimidazol-2-one
PubChem CID3061787
Molecular FormulaC14H10Cl2N2O
Molecular Weight293.15 g/mol
Exact Mass292.02
IUPAC Name5-chloro-3-(2-chlorophenyl)-1-methylbenzimidazol-2-one
SMILESCn1c(=O)n(-c2ccccc2Cl)c2cc(Cl)ccc21
InChIInChI=1S/C14H10Cl2N2O/c1-17-12-7-6-9(15)8-13(12)18(14(17)19)11-5-3-2-4-10(11)16/h2-8H,1H3
InChIKeyKTSWOFZVJNYCLP-UHFFFAOYSA-N
XLogP3.64
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.15
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(2-chlorophenyl)-1-methylbenzimidazol-2-one?
The IUPAC name of 5-chloro-3-(2-chlorophenyl)-1-methylbenzimidazol-2-one (CID 3061787) is 5-chloro-3-(2-chlorophenyl)-1-methylbenzimidazol-2-one.
What is the SMILES notation for 5-chloro-3-(2-chlorophenyl)-1-methylbenzimidazol-2-one?
The canonical SMILES for 5-chloro-3-(2-chlorophenyl)-1-methylbenzimidazol-2-one is Cn1c(=O)n(-c2ccccc2Cl)c2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-3-(2-chlorophenyl)-1-methylbenzimidazol-2-one?
The InChIKey is KTSWOFZVJNYCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O/c1-17-12-7-6-9(15)8-13(12)18(14(17)19)11-5-3-2-4-10(11)16/h2-8H,1H3.
What are the key properties of 5-chloro-3-(2-chlorophenyl)-1-methylbenzimidazol-2-one?
5-chloro-3-(2-chlorophenyl)-1-methylbenzimidazol-2-one has a molecular weight of 293.15 g/mol, XLogP of 3.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(2-chlorophenyl)-1-methylbenzimidazol-2-one is sourced from PubChem (CID 3061787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).