1-methyl-7-phenyl-5H-imidazo[4,5-f]indazol-6-one

C15H12N4O — CID 168926684

IUPAC1-methyl-7-phenyl-5H-imidazo[4,5-f]indazol-6-one
SMILESCn1ncc2cc3[nH]c(=O)n(-c4ccccc4)c3cc21
InChIInChI=1S/C15H12N4O/c1-18-13-8-14-12(7-10(13)9-16-18)17-15(20)19(14)11-5-3-2-4-6-11/h2-9H,1H3,(H,17,20)
InChIKeyDRZAHZOICNWIMI-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.21
Rot. Bonds1

About 1-methyl-7-phenyl-5H-imidazo[4,5-f]indazol-6-one

1-methyl-7-phenyl-5H-imidazo[4,5-f]indazol-6-one (PubChem CID 168926684) has the molecular formula C15H12N4O and a molecular weight of 264.29 g/mol. Its IUPAC name is 1-methyl-7-phenyl-5H-imidazo[4,5-f]indazol-6-one.

Molecular Properties

Compound Name1-methyl-7-phenyl-5H-imidazo[4,5-f]indazol-6-one
PubChem CID168926684
Molecular FormulaC15H12N4O
Molecular Weight264.29 g/mol
Exact Mass264.10
IUPAC Name1-methyl-7-phenyl-5H-imidazo[4,5-f]indazol-6-one
SMILESCn1ncc2cc3[nH]c(=O)n(-c4ccccc4)c3cc21
InChIInChI=1S/C15H12N4O/c1-18-13-8-14-12(7-10(13)9-16-18)17-15(20)19(14)11-5-3-2-4-6-11/h2-9H,1H3,(H,17,20)
InChIKeyDRZAHZOICNWIMI-UHFFFAOYSA-N
XLogP2.21
TPSA55.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-1-phenyl-3H-imidazo[4,5-c]pyridin-2-one
CID 163220152
5-ethyl-3-phenyl-1H-benzimidazol-2-one
CID 118974801
3-(1-methylindazol-5-yl)-1H-imidazo[4,5-b]pyridin-2-one
CID 150066382
7-[(1R,3S)-3-hydroxycyclohexyl]-1-methyl-5H-imidazo[4,5-f]indazol-6-one
CID 170021990
1-methyl-3-(1-phenylindazol-5-yl)-1,3,5-triazinane-2,4,6-trione
CID 139442930
3-methyl-6-[5-(2-phenylethyl)-3-pyridinyl]-1H-benzimidazol-2-one
CID 164981966
9-phenyl-3,7-dihydropurine-2,8-dione
CID 22923587
9-(5-carbazol-9-yl-1-methylindazol-6-yl)carbazole
CID 163427007
5,6-difluoro-1-methylindazole
CID 159529872
1-(1-methylindazol-5-yl)-4-phenylmethoxypyridin-2-one
CID 143723289
2-oxo-1-pyridin-3-yl-3H-benzimidazole-5-carboxylic acid
CID 110491359
3-quinolin-3-yl-1H-benzimidazol-2-one
CID 150795501

Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-phenyl-5H-imidazo[4,5-f]indazol-6-one?
The IUPAC name of 1-methyl-7-phenyl-5H-imidazo[4,5-f]indazol-6-one (CID 168926684) is 1-methyl-7-phenyl-5H-imidazo[4,5-f]indazol-6-one.
What is the SMILES notation for 1-methyl-7-phenyl-5H-imidazo[4,5-f]indazol-6-one?
The canonical SMILES for 1-methyl-7-phenyl-5H-imidazo[4,5-f]indazol-6-one is Cn1ncc2cc3[nH]c(=O)n(-c4ccccc4)c3cc21.
What is the InChIKey of 1-methyl-7-phenyl-5H-imidazo[4,5-f]indazol-6-one?
The InChIKey is DRZAHZOICNWIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O/c1-18-13-8-14-12(7-10(13)9-16-18)17-15(20)19(14)11-5-3-2-4-6-11/h2-9H,1H3,(H,17,20).
What are the key properties of 1-methyl-7-phenyl-5H-imidazo[4,5-f]indazol-6-one?
1-methyl-7-phenyl-5H-imidazo[4,5-f]indazol-6-one has a molecular weight of 264.29 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-phenyl-5H-imidazo[4,5-f]indazol-6-one is sourced from PubChem (CID 168926684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).