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

C15H14N4O — CID 41387165

IUPAC(6R)-1-(1H-benzimidazol-2-yl)-6-methyl-6,7-dihydro-5H-indazol-4-one
SMILESC[C@H]1CC(=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)/t9-/m1/s1
InChIKeyMUTMOIRLFBTCLX-SECBINFHSA-N
MW266.30 g/mol
LogP2.51
Rot. Bonds1

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

(6R)-1-(1H-benzimidazol-2-yl)-6-methyl-6,7-dihydro-5H-indazol-4-one (PubChem CID 41387165) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is (6R)-1-(1H-benzimidazol-2-yl)-6-methyl-6,7-dihydro-5H-indazol-4-one.

Molecular Properties

Compound Name(6R)-1-(1H-benzimidazol-2-yl)-6-methyl-6,7-dihydro-5H-indazol-4-one
PubChem CID41387165
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name(6R)-1-(1H-benzimidazol-2-yl)-6-methyl-6,7-dihydro-5H-indazol-4-one
SMILESC[C@H]1CC(=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)/t9-/m1/s1
InChIKeyMUTMOIRLFBTCLX-SECBINFHSA-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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Related Compounds

(6S)-1-(1H-benzimidazol-2-yl)-6-(furan-2-yl)-6,7-dihydro-5H-indazol-4-one
CID 40932787
(6R)-1-(1H-benzimidazol-2-yl)-6-thiophen-2-yl-6,7-dihydro-5H-indazol-4-one
CID 40900666
1-(2-chlorophenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one
CID 53415447
(6S)-1-(2-ethylphenyl)-6-methyl-6,7-dihydro-5H-indazol-4-one
CID 124634303
1-(1H-benzimidazol-2-yl)-3-(2-fluoroanilino)-6-methyl-6,7-dihydro-5H-indazol-4-one
CID 43903759
1-(1H-benzimidazol-2-yl)-3-(2-ethylanilino)-6-methyl-6,7-dihydro-5H-indazol-4-one
CID 43903769
1-(1H-benzimidazol-2-yl)-3-(3-methoxyanilino)-6-methyl-6,7-dihydro-5H-indazol-4-one
CID 43903767
1-(1H-benzimidazol-2-yl)-6-methyl-3-[3-(trifluoromethyl)anilino]-6,7-dihydro-5H-indazol-4-one
CID 43903760
(4S)-1-(1H-benzimidazol-2-yl)-3-methyl-4-pyridin-3-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136793904
1-(1H-benzimidazol-2-yl)-6-(2-hydroxyphenyl)-3-methyl-6,7-dihydro-5H-indazol-4-one
CID 16584409
(6S)-1-(1H-benzimidazol-2-yl)-6-(furan-2-yl)-3-methyl-6,7-dihydro-5H-indazol-4-one
CID 40900714
2-[(3S)-3-methylpiperidin-1-yl]-1H-benzimidazole
CID 94217972

Frequently Asked Questions

What is the IUPAC name of (6R)-1-(1H-benzimidazol-2-yl)-6-methyl-6,7-dihydro-5H-indazol-4-one?
The IUPAC name of (6R)-1-(1H-benzimidazol-2-yl)-6-methyl-6,7-dihydro-5H-indazol-4-one (CID 41387165) is (6R)-1-(1H-benzimidazol-2-yl)-6-methyl-6,7-dihydro-5H-indazol-4-one.
What is the SMILES notation for (6R)-1-(1H-benzimidazol-2-yl)-6-methyl-6,7-dihydro-5H-indazol-4-one?
The canonical SMILES for (6R)-1-(1H-benzimidazol-2-yl)-6-methyl-6,7-dihydro-5H-indazol-4-one is C[C@H]1CC(=O)c2cnn(-c3nc4ccccc4[nH]3)c2C1.
What is the InChIKey of (6R)-1-(1H-benzimidazol-2-yl)-6-methyl-6,7-dihydro-5H-indazol-4-one?
The InChIKey is MUTMOIRLFBTCLX-SECBINFHSA-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)/t9-/m1/s1.
What are the key properties of (6R)-1-(1H-benzimidazol-2-yl)-6-methyl-6,7-dihydro-5H-indazol-4-one?
(6R)-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 (6R)-1-(1H-benzimidazol-2-yl)-6-methyl-6,7-dihydro-5H-indazol-4-one is sourced from PubChem (CID 41387165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).