7-chloro-3,7-dihydroimidazo[4,5-c]pyridin-2-one

C6H4ClN3O — CID 71304027

IUPAC7-chloro-3,7-dihydroimidazo[4,5-c]pyridin-2-one
SMILESO=C1N=C2C(=CN=CC2Cl)N1
InChIInChI=1S/C6H4ClN3O/c7-3-1-8-2-4-5(3)10-6(11)9-4/h1-3H,(H,9,11)
InChIKeySLBWKVASEQCNAX-UHFFFAOYSA-N
MW169.57 g/mol
LogP0.68
Rot. Bonds

About 7-chloro-3,7-dihydroimidazo[4,5-c]pyridin-2-one

7-chloro-3,7-dihydroimidazo[4,5-c]pyridin-2-one (PubChem CID 71304027) has the molecular formula C6H4ClN3O and a molecular weight of 169.57 g/mol. Its IUPAC name is 7-chloro-3,7-dihydroimidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name7-chloro-3,7-dihydroimidazo[4,5-c]pyridin-2-one
PubChem CID71304027
Molecular FormulaC6H4ClN3O
Molecular Weight169.57 g/mol
Exact Mass169.00
IUPAC Name7-chloro-3,7-dihydroimidazo[4,5-c]pyridin-2-one
SMILESO=C1N=C2C(=CN=CC2Cl)N1
InChIInChI=1S/C6H4ClN3O/c7-3-1-8-2-4-5(3)10-6(11)9-4/h1-3H,(H,9,11)
InChIKeySLBWKVASEQCNAX-UHFFFAOYSA-N
XLogP0.68
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.57
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

7-bromo-3,7-dihydroimidazo[4,5-c]pyridin-2-one
CID 71304011
1H-thieno[3,4-d]imidazole-2,4-dione
CID 21292269
2-oxo-3,5-dihydrobenzimidazole-5-sulfonyl chloride
CID 71651743
5-chloro-3,5-dihydroimidazo[4,5-b]pyridin-2-one
CID 71303716
6-bromo-1,6-dihydrobenzimidazol-2-one
CID 71303656
4a,8-dihydropteridine-2,4,7-trione
CID 23422163
6-pyrrol-1-yl-1,6-dihydrobenzimidazol-2-one
CID 74643944
6-(2-chloro-3-methylphenyl)-1,6-dihydrobenzimidazol-2-one
CID 155295276
3a,5-dihydro-3H-imidazo[4,5-c]quinoline-2,4-dione
CID 138115458
calcium bis(2,6-dioxo-5H-pyrimidine-4-carboxylate)
CID 170922934
4-amino-8-propan-2-yl-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79960233
6-[(1S,5R)-8-acetyl-3,8-diazabicyclo[3.2.1]octan-3-yl]-1,6-dihydrobenzimidazol-2-one
CID 169489633

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3,7-dihydroimidazo[4,5-c]pyridin-2-one?
The IUPAC name of 7-chloro-3,7-dihydroimidazo[4,5-c]pyridin-2-one (CID 71304027) is 7-chloro-3,7-dihydroimidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 7-chloro-3,7-dihydroimidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 7-chloro-3,7-dihydroimidazo[4,5-c]pyridin-2-one is O=C1N=C2C(=CN=CC2Cl)N1.
What is the InChIKey of 7-chloro-3,7-dihydroimidazo[4,5-c]pyridin-2-one?
The InChIKey is SLBWKVASEQCNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClN3O/c7-3-1-8-2-4-5(3)10-6(11)9-4/h1-3H,(H,9,11).
What are the key properties of 7-chloro-3,7-dihydroimidazo[4,5-c]pyridin-2-one?
7-chloro-3,7-dihydroimidazo[4,5-c]pyridin-2-one has a molecular weight of 169.57 g/mol, XLogP of 0.68, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3,7-dihydroimidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 71304027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).