5-chloro-1,3-diphenylbenzimidazol-2-one

C19H13ClN2O — CID 3061785

IUPAC5-chloro-1,3-diphenylbenzimidazol-2-one
SMILESO=c1n(-c2ccccc2)c2ccc(Cl)cc2n1-c1ccccc1
InChIInChI=1S/C19H13ClN2O/c20-14-11-12-17-18(13-14)22(16-9-5-2-6-10-16)19(23)21(17)15-7-3-1-4-8-15/h1-13H
InChIKeyKCPOTZDAKRAPBZ-UHFFFAOYSA-N
MW320.78 g/mol
LogP4.43
Rot. Bonds2

About 5-chloro-1,3-diphenylbenzimidazol-2-one

5-chloro-1,3-diphenylbenzimidazol-2-one (PubChem CID 3061785) has the molecular formula C19H13ClN2O and a molecular weight of 320.78 g/mol. Its IUPAC name is 5-chloro-1,3-diphenylbenzimidazol-2-one.

Molecular Properties

Compound Name5-chloro-1,3-diphenylbenzimidazol-2-one
PubChem CID3061785
Molecular FormulaC19H13ClN2O
Molecular Weight320.78 g/mol
Exact Mass320.07
IUPAC Name5-chloro-1,3-diphenylbenzimidazol-2-one
SMILESO=c1n(-c2ccccc2)c2ccc(Cl)cc2n1-c1ccccc1
InChIInChI=1S/C19H13ClN2O/c20-14-11-12-17-18(13-14)22(16-9-5-2-6-10-16)19(23)21(17)15-7-3-1-4-8-15/h1-13H
InChIKeyKCPOTZDAKRAPBZ-UHFFFAOYSA-N
XLogP4.43
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,3-diphenylbenzimidazol-2-one?
The IUPAC name of 5-chloro-1,3-diphenylbenzimidazol-2-one (CID 3061785) is 5-chloro-1,3-diphenylbenzimidazol-2-one.
What is the SMILES notation for 5-chloro-1,3-diphenylbenzimidazol-2-one?
The canonical SMILES for 5-chloro-1,3-diphenylbenzimidazol-2-one is O=c1n(-c2ccccc2)c2ccc(Cl)cc2n1-c1ccccc1.
What is the InChIKey of 5-chloro-1,3-diphenylbenzimidazol-2-one?
The InChIKey is KCPOTZDAKRAPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN2O/c20-14-11-12-17-18(13-14)22(16-9-5-2-6-10-16)19(23)21(17)15-7-3-1-4-8-15/h1-13H.
What are the key properties of 5-chloro-1,3-diphenylbenzimidazol-2-one?
5-chloro-1,3-diphenylbenzimidazol-2-one has a molecular weight of 320.78 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,3-diphenylbenzimidazol-2-one is sourced from PubChem (CID 3061785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).