4,6-dichloro-1,3-dihydrobenzimidazol-2-one

C7H4Cl2N2O — CID 800233

IUPAC4,6-dichloro-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2cc(Cl)cc(Cl)c2[nH]1
InChIInChI=1S/C7H4Cl2N2O/c8-3-1-4(9)6-5(2-3)10-7(12)11-6/h1-2H,(H2,10,11,12)
InChIKeyIQVUIJYEKLITAF-UHFFFAOYSA-N
MW203.03 g/mol
LogP2.16
Rot. Bonds

About 4,6-dichloro-1,3-dihydrobenzimidazol-2-one

4,6-dichloro-1,3-dihydrobenzimidazol-2-one (PubChem CID 800233) has the molecular formula C7H4Cl2N2O and a molecular weight of 203.03 g/mol. Its IUPAC name is 4,6-dichloro-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name4,6-dichloro-1,3-dihydrobenzimidazol-2-one
PubChem CID800233
Molecular FormulaC7H4Cl2N2O
Molecular Weight203.03 g/mol
Exact Mass201.97
IUPAC Name4,6-dichloro-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2cc(Cl)cc(Cl)c2[nH]1
InChIInChI=1S/C7H4Cl2N2O/c8-3-1-4(9)6-5(2-3)10-7(12)11-6/h1-2H,(H2,10,11,12)
InChIKeyIQVUIJYEKLITAF-UHFFFAOYSA-N
XLogP2.16
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.03
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

6-(2-aminoethyl)-4-chloro-1,3-dihydrobenzimidazol-2-one
CID 83885627
5,7-dichloro-4-oxo-1H-quinoline-2-carboxylic acid
CID 1779
6-amino-7-chloro-2-oxo-1,3-dihydrobenzimidazole-5-carboxylic acid
CID 89378308
3,6,8-trichloro-2-methyl-1H-quinolin-4-one
CID 121236859
4-amino-6-(chloromethyl)-1,3-dihydrobenzimidazol-2-one
CID 67903569
6,8-dichloro-4-hydroxy-1H-1-benzazepine-2,5-dione
CID 54732816
5-chloro-6-nitro-1,3-dihydrobenzimidazol-2-one
CID 14566226
4,6-difluoro-5-hydroxy-1,3-dihydrobenzimidazol-2-one
CID 175928743
CID 173357830
CID 173357830
2-(5,7-dichloro-4-oxo-1H-quinolin-2-yl)acetamide
CID 25174765
8-chloro-6-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 156808240
6-chloro-5-methyl-1,3-dihydroimidazo[4,5-b]pyridin-2-one
CID 144579589

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 4,6-dichloro-1,3-dihydrobenzimidazol-2-one (CID 800233) is 4,6-dichloro-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 4,6-dichloro-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 4,6-dichloro-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2cc(Cl)cc(Cl)c2[nH]1.
What is the InChIKey of 4,6-dichloro-1,3-dihydrobenzimidazol-2-one?
The InChIKey is IQVUIJYEKLITAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2N2O/c8-3-1-4(9)6-5(2-3)10-7(12)11-6/h1-2H,(H2,10,11,12).
What are the key properties of 4,6-dichloro-1,3-dihydrobenzimidazol-2-one?
4,6-dichloro-1,3-dihydrobenzimidazol-2-one has a molecular weight of 203.03 g/mol, XLogP of 2.16, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 800233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).