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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Related Compounds

1,3-diphenylbenzimidazol-2-one
CID 22323486
5-chloro-1-[3-(dimethylamino)propyl]-3-phenylbenzimidazol-2-one
CID 20883
5-[(5-chloro-2-oxo-3-phenylbenzimidazol-1-yl)methyl]-2-fluorobenzoic acid
CID 172632809
5-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,3-diphenylbenzimidazol-2-one
CID 172507759
1-(4-amino-2-methoxyphenyl)sulfonyl-5-chloro-3-phenylbenzimidazol-2-one
CID 15229041
8-chloro-6-phenyl-3-sulfanylidene-2H-[1,2,4]triazolo[4,3-c]quinazolin-5-one
CID 170946514
1,3-dibenzyl-5-chlorobenzimidazol-2-one
CID 139081600
6-chloro-2-methyl-1-phenylindole
CID 171405843
2-acetyl-7-chloro-1-phenylquinolin-4-one
CID 142701712
5-chloro-3-(2-chlorophenyl)-1-methylbenzimidazol-2-one
CID 3061787
7-chloro-10-phenyl-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene
CID 145390303
2-chloro-9-phenyl-6-(9-phenylcarbazol-2-yl)carbazole
CID 152827310

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).