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

C15H14N4O — CID 16584408

IUPAC1-(1H-benzimidazol-2-yl)-6-methyl-6,7-dihydro-5H-indazol-4-one
SMILESCC1CC(=O)c2cnn(-c3nc4ccccc4[nH]3)c2C1
InChIInChI=1S/C15H14N4O/c1-9-6-13-10(14(20)7-9)8-16-19(13)15-17-11-4-2-3-5-12(11)18-15/h2-5,8-9H,6-7H2,1H3,(H,17,18)
InChIKeyMUTMOIRLFBTCLX-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.51
Rot. Bonds1

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

1-(1H-benzimidazol-2-yl)-6-methyl-6,7-dihydro-5H-indazol-4-one (PubChem CID 16584408) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-(1H-benzimidazol-2-yl)-6-methyl-6,7-dihydro-5H-indazol-4-one.

Molecular Properties

Compound Name1-(1H-benzimidazol-2-yl)-6-methyl-6,7-dihydro-5H-indazol-4-one
PubChem CID16584408
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name1-(1H-benzimidazol-2-yl)-6-methyl-6,7-dihydro-5H-indazol-4-one
SMILESCC1CC(=O)c2cnn(-c3nc4ccccc4[nH]3)c2C1
InChIInChI=1S/C15H14N4O/c1-9-6-13-10(14(20)7-9)8-16-19(13)15-17-11-4-2-3-5-12(11)18-15/h2-5,8-9H,6-7H2,1H3,(H,17,18)
InChIKeyMUTMOIRLFBTCLX-UHFFFAOYSA-N
XLogP2.51
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.51
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-methyl-6,7-dihydro-5H-indazol-4-one?
The IUPAC name of 1-(1H-benzimidazol-2-yl)-6-methyl-6,7-dihydro-5H-indazol-4-one (CID 16584408) is 1-(1H-benzimidazol-2-yl)-6-methyl-6,7-dihydro-5H-indazol-4-one.
What is the SMILES notation for 1-(1H-benzimidazol-2-yl)-6-methyl-6,7-dihydro-5H-indazol-4-one?
The canonical SMILES for 1-(1H-benzimidazol-2-yl)-6-methyl-6,7-dihydro-5H-indazol-4-one is CC1CC(=O)c2cnn(-c3nc4ccccc4[nH]3)c2C1.
What is the InChIKey of 1-(1H-benzimidazol-2-yl)-6-methyl-6,7-dihydro-5H-indazol-4-one?
The InChIKey is MUTMOIRLFBTCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-9-6-13-10(14(20)7-9)8-16-19(13)15-17-11-4-2-3-5-12(11)18-15/h2-5,8-9H,6-7H2,1H3,(H,17,18).
What are the key properties of 1-(1H-benzimidazol-2-yl)-6-methyl-6,7-dihydro-5H-indazol-4-one?
1-(1H-benzimidazol-2-yl)-6-methyl-6,7-dihydro-5H-indazol-4-one has a molecular weight of 266.30 g/mol, XLogP of 2.51, 1 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-methyl-6,7-dihydro-5H-indazol-4-one is sourced from PubChem (CID 16584408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).