5-chloro-6-nitro-1,3-dihydrobenzimidazol-2-one

C7H4ClN3O3 — CID 14566226

IUPAC5-chloro-6-nitro-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2cc(Cl)c([N+](=O)[O-])cc2[nH]1
InChIInChI=1S/C7H4ClN3O3/c8-3-1-4-5(10-7(12)9-4)2-6(3)11(13)14/h1-2H,(H2,9,10,12)
InChIKeyLMGOHSUBTHHMHD-UHFFFAOYSA-N
MW213.58 g/mol
LogP1.42
Rot. Bonds1

About 5-chloro-6-nitro-1,3-dihydrobenzimidazol-2-one

5-chloro-6-nitro-1,3-dihydrobenzimidazol-2-one (PubChem CID 14566226) has the molecular formula C7H4ClN3O3 and a molecular weight of 213.58 g/mol. Its IUPAC name is 5-chloro-6-nitro-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-chloro-6-nitro-1,3-dihydrobenzimidazol-2-one
PubChem CID14566226
Molecular FormulaC7H4ClN3O3
Molecular Weight213.58 g/mol
Exact Mass212.99
IUPAC Name5-chloro-6-nitro-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2cc(Cl)c([N+](=O)[O-])cc2[nH]1
InChIInChI=1S/C7H4ClN3O3/c8-3-1-4-5(10-7(12)9-4)2-6(3)11(13)14/h1-2H,(H2,9,10,12)
InChIKeyLMGOHSUBTHHMHD-UHFFFAOYSA-N
XLogP1.42
TPSA91.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.58
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-nitro-2-oxo-1,3-dihydrobenzimidazole-5-carboxylic acid
CID 22707612
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5,6-dichloro-3-nitro-1H-pyridin-2-one
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3-amino-7-chloro-6-nitro-1H-quinoxalin-2-one
CID 10752580
5-methyl-1,3-dihydrobenzimidazol-2-one;5-methyl-6-nitro-1,3-dihydrobenzimidazol-2-one
CID 158575172
(7-chloro-6-nitro-2-oxo-1H-quinolin-3-yl)phosphonic acid
CID 18184112
2,3,4-trichloro-1,5-dinitrobenzene
CID 22875
4-chloro-5-nitrobenzene-1,2-dicarbonitrile
CID 18931016
1,4-dichloro-2-(2,5-dichloro-4-nitrophenoxy)-5-nitrobenzene
CID 57162217
5-chloro-6-nitro-1,3-dihydroindol-2-one
CID 141362608
1-chloro-2,4-dinitro-5-propylbenzene
CID 58056273
5-chloro-2-methyl-4-nitrobenzoyl chloride
CID 130894984

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-nitro-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-chloro-6-nitro-1,3-dihydrobenzimidazol-2-one (CID 14566226) is 5-chloro-6-nitro-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-chloro-6-nitro-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-chloro-6-nitro-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2cc(Cl)c([N+](=O)[O-])cc2[nH]1.
What is the InChIKey of 5-chloro-6-nitro-1,3-dihydrobenzimidazol-2-one?
The InChIKey is LMGOHSUBTHHMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClN3O3/c8-3-1-4-5(10-7(12)9-4)2-6(3)11(13)14/h1-2H,(H2,9,10,12).
What are the key properties of 5-chloro-6-nitro-1,3-dihydrobenzimidazol-2-one?
5-chloro-6-nitro-1,3-dihydrobenzimidazol-2-one has a molecular weight of 213.58 g/mol, XLogP of 1.42, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-nitro-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 14566226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).