(6S)-1-(1H-benzimidazol-2-yl)-6-(furan-2-yl)-6,7-dihydro-5H-indazol-4-one

C18H14N4O2 — CID 40932787

IUPAC(6S)-1-(1H-benzimidazol-2-yl)-6-(furan-2-yl)-6,7-dihydro-5H-indazol-4-one
SMILESO=C1C[C@@H](c2ccco2)Cc2c1cnn2-c1nc2ccccc2[nH]1
InChIInChI=1S/C18H14N4O2/c23-16-9-11(17-6-3-7-24-17)8-15-12(16)10-19-22(15)18-20-13-4-1-2-5-14(13)21-18/h1-7,10-11H,8-9H2,(H,20,21)/t11-/m0/s1
InChIKeyLGTAXAUIGRDSTH-NSHDSACASA-N
MW318.34 g/mol
LogP3.25
Rot. Bonds2

About (6S)-1-(1H-benzimidazol-2-yl)-6-(furan-2-yl)-6,7-dihydro-5H-indazol-4-one

(6S)-1-(1H-benzimidazol-2-yl)-6-(furan-2-yl)-6,7-dihydro-5H-indazol-4-one (PubChem CID 40932787) has the molecular formula C18H14N4O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is (6S)-1-(1H-benzimidazol-2-yl)-6-(furan-2-yl)-6,7-dihydro-5H-indazol-4-one.

Molecular Properties

Compound Name(6S)-1-(1H-benzimidazol-2-yl)-6-(furan-2-yl)-6,7-dihydro-5H-indazol-4-one
PubChem CID40932787
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC Name(6S)-1-(1H-benzimidazol-2-yl)-6-(furan-2-yl)-6,7-dihydro-5H-indazol-4-one
SMILESO=C1C[C@@H](c2ccco2)Cc2c1cnn2-c1nc2ccccc2[nH]1
InChIInChI=1S/C18H14N4O2/c23-16-9-11(17-6-3-7-24-17)8-15-12(16)10-19-22(15)18-20-13-4-1-2-5-14(13)21-18/h1-7,10-11H,8-9H2,(H,20,21)/t11-/m0/s1
InChIKeyLGTAXAUIGRDSTH-NSHDSACASA-N
XLogP3.25
TPSA76.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (6S)-1-(1H-benzimidazol-2-yl)-6-(furan-2-yl)-6,7-dihydro-5H-indazol-4-one with MolForge

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Related Compounds

(6S)-1-(1H-benzimidazol-2-yl)-6-(furan-2-yl)-3-methyl-6,7-dihydro-5H-indazol-4-one
CID 40900714
(6R)-1-(1H-benzimidazol-2-yl)-6-thiophen-2-yl-6,7-dihydro-5H-indazol-4-one
CID 40900666
(6R)-1-(1H-benzimidazol-2-yl)-6-methyl-6,7-dihydro-5H-indazol-4-one
CID 41387165
1-(1H-benzimidazol-2-yl)-3-(4-fluoroanilino)-6-(furan-2-yl)-6,7-dihydro-5H-indazol-4-one
CID 43903781
1-(1H-benzimidazol-2-yl)-3-(3,5-dichloroanilino)-6-(furan-2-yl)-6,7-dihydro-5H-indazol-4-one
CID 43903792
1-(1H-benzimidazol-2-yl)-6-(furan-2-yl)-3-(4-methylanilino)-6,7-dihydro-5H-indazol-4-one
CID 43903779
1-(1H-benzimidazol-2-yl)-6-(2-hydroxyphenyl)-3-methyl-6,7-dihydro-5H-indazol-4-one
CID 16584409
(6S)-6-(furan-2-yl)-3-methyl-1-phenyl-6,7-dihydro-5H-indazol-4-one
CID 7447099
(6S)-6-(4-methoxyphenyl)-1-phenyl-6,7-dihydro-5H-indazol-4-one
CID 7447090
(6R)-1-(1H-benzimidazol-2-yl)-6-(2-methoxyphenyl)-3-methyl-6,7-dihydro-5H-indazol-4-one
CID 41387170
3,12-bis(furan-2-yl)-3,4,5,12-tetrahydro-2H-benzimidazolo[2,1-b]quinazolin-1-one
CID 4889231
7-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 3162746

Frequently Asked Questions

What is the IUPAC name of (6S)-1-(1H-benzimidazol-2-yl)-6-(furan-2-yl)-6,7-dihydro-5H-indazol-4-one?
The IUPAC name of (6S)-1-(1H-benzimidazol-2-yl)-6-(furan-2-yl)-6,7-dihydro-5H-indazol-4-one (CID 40932787) is (6S)-1-(1H-benzimidazol-2-yl)-6-(furan-2-yl)-6,7-dihydro-5H-indazol-4-one.
What is the SMILES notation for (6S)-1-(1H-benzimidazol-2-yl)-6-(furan-2-yl)-6,7-dihydro-5H-indazol-4-one?
The canonical SMILES for (6S)-1-(1H-benzimidazol-2-yl)-6-(furan-2-yl)-6,7-dihydro-5H-indazol-4-one is O=C1C[C@@H](c2ccco2)Cc2c1cnn2-c1nc2ccccc2[nH]1.
What is the InChIKey of (6S)-1-(1H-benzimidazol-2-yl)-6-(furan-2-yl)-6,7-dihydro-5H-indazol-4-one?
The InChIKey is LGTAXAUIGRDSTH-NSHDSACASA-N. The full InChI is InChI=1S/C18H14N4O2/c23-16-9-11(17-6-3-7-24-17)8-15-12(16)10-19-22(15)18-20-13-4-1-2-5-14(13)21-18/h1-7,10-11H,8-9H2,(H,20,21)/t11-/m0/s1.
What are the key properties of (6S)-1-(1H-benzimidazol-2-yl)-6-(furan-2-yl)-6,7-dihydro-5H-indazol-4-one?
(6S)-1-(1H-benzimidazol-2-yl)-6-(furan-2-yl)-6,7-dihydro-5H-indazol-4-one has a molecular weight of 318.34 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-1-(1H-benzimidazol-2-yl)-6-(furan-2-yl)-6,7-dihydro-5H-indazol-4-one is sourced from PubChem (CID 40932787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).