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

C20H16N4O — CID 4664146

IUPAC1-(1H-benzimidazol-2-yl)-6-phenyl-6,7-dihydro-5H-indazol-4-one
SMILESO=C1CC(c2ccccc2)Cc2c1cnn2-c1nc2ccccc2[nH]1
InChIInChI=1S/C20H16N4O/c25-19-11-14(13-6-2-1-3-7-13)10-18-15(19)12-21-24(18)20-22-16-8-4-5-9-17(16)23-20/h1-9,12,14H,10-11H2,(H,22,23)
InChIKeyIWCISFLTRCJWKN-UHFFFAOYSA-N
MW328.38 g/mol
LogP3.66
Rot. Bonds2

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

1-(1H-benzimidazol-2-yl)-6-phenyl-6,7-dihydro-5H-indazol-4-one (PubChem CID 4664146) has the molecular formula C20H16N4O and a molecular weight of 328.38 g/mol. Its IUPAC name is 1-(1H-benzimidazol-2-yl)-6-phenyl-6,7-dihydro-5H-indazol-4-one.

Molecular Properties

Compound Name1-(1H-benzimidazol-2-yl)-6-phenyl-6,7-dihydro-5H-indazol-4-one
PubChem CID4664146
Molecular FormulaC20H16N4O
Molecular Weight328.38 g/mol
Exact Mass328.13
IUPAC Name1-(1H-benzimidazol-2-yl)-6-phenyl-6,7-dihydro-5H-indazol-4-one
SMILESO=C1CC(c2ccccc2)Cc2c1cnn2-c1nc2ccccc2[nH]1
InChIInChI=1S/C20H16N4O/c25-19-11-14(13-6-2-1-3-7-13)10-18-15(19)12-21-24(18)20-22-16-8-4-5-9-17(16)23-20/h1-9,12,14H,10-11H2,(H,22,23)
InChIKeyIWCISFLTRCJWKN-UHFFFAOYSA-N
XLogP3.66
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-benzimidazol-2-yl)-6-phenyl-6,7-dihydro-5H-indazol-4-one?
The IUPAC name of 1-(1H-benzimidazol-2-yl)-6-phenyl-6,7-dihydro-5H-indazol-4-one (CID 4664146) is 1-(1H-benzimidazol-2-yl)-6-phenyl-6,7-dihydro-5H-indazol-4-one.
What is the SMILES notation for 1-(1H-benzimidazol-2-yl)-6-phenyl-6,7-dihydro-5H-indazol-4-one?
The canonical SMILES for 1-(1H-benzimidazol-2-yl)-6-phenyl-6,7-dihydro-5H-indazol-4-one is O=C1CC(c2ccccc2)Cc2c1cnn2-c1nc2ccccc2[nH]1.
What is the InChIKey of 1-(1H-benzimidazol-2-yl)-6-phenyl-6,7-dihydro-5H-indazol-4-one?
The InChIKey is IWCISFLTRCJWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O/c25-19-11-14(13-6-2-1-3-7-13)10-18-15(19)12-21-24(18)20-22-16-8-4-5-9-17(16)23-20/h1-9,12,14H,10-11H2,(H,22,23).
What are the key properties of 1-(1H-benzimidazol-2-yl)-6-phenyl-6,7-dihydro-5H-indazol-4-one?
1-(1H-benzimidazol-2-yl)-6-phenyl-6,7-dihydro-5H-indazol-4-one has a molecular weight of 328.38 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-benzimidazol-2-yl)-6-phenyl-6,7-dihydro-5H-indazol-4-one is sourced from PubChem (CID 4664146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).