2-(1H-benzimidazol-2-yl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one

C13H12N4O — CID 17121688

IUPAC2-(1H-benzimidazol-2-yl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one
SMILESO=c1c2c([nH]n1-c1nc3ccccc3[nH]1)CCC2
InChIInChI=1S/C13H12N4O/c18-12-8-4-3-7-9(8)16-17(12)13-14-10-5-1-2-6-11(10)15-13/h1-2,5-6,16H,3-4,7H2,(H,14,15)
InChIKeyCNTDENRQRPBCTR-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.53
Rot. Bonds1

About 2-(1H-benzimidazol-2-yl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one

2-(1H-benzimidazol-2-yl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one (PubChem CID 17121688) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one
PubChem CID17121688
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name2-(1H-benzimidazol-2-yl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one
SMILESO=c1c2c([nH]n1-c1nc3ccccc3[nH]1)CCC2
InChIInChI=1S/C13H12N4O/c18-12-8-4-3-7-9(8)16-17(12)13-14-10-5-1-2-6-11(10)15-13/h1-2,5-6,16H,3-4,7H2,(H,14,15)
InChIKeyCNTDENRQRPBCTR-UHFFFAOYSA-N
XLogP1.53
TPSA66.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-pyridazin-3-yl-4,5,6,7-tetrahydro-1H-indazol-3-one
CID 103294212
2-pyridin-4-yl-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one
CID 66022934
[4-(3-oxo-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-2-yl)phenyl]azanium
CID 137013025
2-(1H-benzimidazol-2-yl)-4-[(4-tert-butylphenyl)methyl]-5-methyl-1H-pyrazol-3-one;hydrochloride
CID 163329574
1,8,10-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-2,4,6,8,11(15)-pentaen-16-one
CID 614507
2-(1H-benzimidazol-2-yl)-4-methanimidoyl-5-phenyl-1H-pyrazol-3-one
CID 136500935
2-(1H-benzimidazol-2-yl)-5-(phenoxymethyl)-1H-pyrazol-3-one
CID 17121678
3-[2-(1H-benzimidazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]-1-phenylpyrrolidine-2,5-dione
CID 17121690
2-(1H-benzimidazol-2-yl)-5-[(4-fluorophenyl)methylsulfanylmethyl]-1H-pyrazol-3-one
CID 138482805
ethyl 3-[2-(1H-benzimidazol-2-yl)-3-oxo-5-phenyl-1H-pyrazol-4-yl]propanoate
CID 16584269
(3S)-1-(4-acetylphenyl)-3-[2-(1H-benzimidazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]pyrrolidine-2,5-dione
CID 26182928
3-(1H-benzimidazol-2-yl)-4-oxophthalazine-1-carboxylic acid
CID 46397573

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one?
The IUPAC name of 2-(1H-benzimidazol-2-yl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one (CID 17121688) is 2-(1H-benzimidazol-2-yl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one is O=c1c2c([nH]n1-c1nc3ccccc3[nH]1)CCC2.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one?
The InChIKey is CNTDENRQRPBCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c18-12-8-4-3-7-9(8)16-17(12)13-14-10-5-1-2-6-11(10)15-13/h1-2,5-6,16H,3-4,7H2,(H,14,15).
What are the key properties of 2-(1H-benzimidazol-2-yl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one?
2-(1H-benzimidazol-2-yl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one has a molecular weight of 240.27 g/mol, XLogP of 1.53, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-yl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-one is sourced from PubChem (CID 17121688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).