1-(1H-benzimidazol-2-ylmethyl)-5-methoxy-2H-indazol-3-one

C16H14N4O2 — CID 10732532

IUPAC1-(1H-benzimidazol-2-ylmethyl)-5-methoxy-2H-indazol-3-one
SMILESCOc1ccc2c(c1)c(=O)[nH]n2Cc1nc2ccccc2[nH]1
InChIInChI=1S/C16H14N4O2/c1-22-10-6-7-14-11(8-10)16(21)19-20(14)9-15-17-12-4-2-3-5-13(12)18-15/h2-8H,9H2,1H3,(H,17,18)(H,19,21)
InChIKeyYHYDCEDCCUXSBY-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.26
Rot. Bonds3

About 1-(1H-benzimidazol-2-ylmethyl)-5-methoxy-2H-indazol-3-one

1-(1H-benzimidazol-2-ylmethyl)-5-methoxy-2H-indazol-3-one (PubChem CID 10732532) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is 1-(1H-benzimidazol-2-ylmethyl)-5-methoxy-2H-indazol-3-one.

Molecular Properties

Compound Name1-(1H-benzimidazol-2-ylmethyl)-5-methoxy-2H-indazol-3-one
PubChem CID10732532
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name1-(1H-benzimidazol-2-ylmethyl)-5-methoxy-2H-indazol-3-one
SMILESCOc1ccc2c(c1)c(=O)[nH]n2Cc1nc2ccccc2[nH]1
InChIInChI=1S/C16H14N4O2/c1-22-10-6-7-14-11(8-10)16(21)19-20(14)9-15-17-12-4-2-3-5-13(12)18-15/h2-8H,9H2,1H3,(H,17,18)(H,19,21)
InChIKeyYHYDCEDCCUXSBY-UHFFFAOYSA-N
XLogP2.26
TPSA75.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-1-[(3,4,5-trimethoxyphenyl)methyl]-2H-indazol-3-one
CID 10521372
6-methoxy-3-[(6-methoxy-1H-benzimidazol-2-yl)methyl]quinazolin-4-one
CID 39760818
4-(1H-benzimidazol-2-ylmethyl)-2-ethyl-7-methoxy-3,5-dihydro-2H-1,4-benzoxazepine
CID 118756541
N-[3-(1H-benzimidazol-2-yl)propyl]-5-methoxy-1-propan-2-ylindole-3-carboxamide
CID 71709732
6-methoxy-2-(2,3,4,5-tetrahydro-1-benzazepin-1-ylmethyl)-3H-quinazolin-4-one
CID 161351143
2-(2,3-dihydroindol-1-ylmethyl)-6-methoxy-3H-quinazolin-4-one
CID 166771395
3-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-6-methoxyquinazolin-4-one
CID 39804596
3-(1H-benzimidazol-2-yl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylpropanamide
CID 17470683
6-methoxy-2-[[(3S)-3-methyl-2,3-dihydroindol-1-yl]methyl]-3H-quinazolin-4-one
CID 166771415
6-methoxy-1-phenylquinazoline-2,4-dione
CID 177394173
2-(2-fluoro-4-methoxyphenyl)-1H-benzimidazole
CID 83402422
5-methoxy-1-(4-methoxyphenyl)sulfonyl-2H-indazol-3-one
CID 110169575

Frequently Asked Questions

What is the IUPAC name of 1-(1H-benzimidazol-2-ylmethyl)-5-methoxy-2H-indazol-3-one?
The IUPAC name of 1-(1H-benzimidazol-2-ylmethyl)-5-methoxy-2H-indazol-3-one (CID 10732532) is 1-(1H-benzimidazol-2-ylmethyl)-5-methoxy-2H-indazol-3-one.
What is the SMILES notation for 1-(1H-benzimidazol-2-ylmethyl)-5-methoxy-2H-indazol-3-one?
The canonical SMILES for 1-(1H-benzimidazol-2-ylmethyl)-5-methoxy-2H-indazol-3-one is COc1ccc2c(c1)c(=O)[nH]n2Cc1nc2ccccc2[nH]1.
What is the InChIKey of 1-(1H-benzimidazol-2-ylmethyl)-5-methoxy-2H-indazol-3-one?
The InChIKey is YHYDCEDCCUXSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-22-10-6-7-14-11(8-10)16(21)19-20(14)9-15-17-12-4-2-3-5-13(12)18-15/h2-8H,9H2,1H3,(H,17,18)(H,19,21).
What are the key properties of 1-(1H-benzimidazol-2-ylmethyl)-5-methoxy-2H-indazol-3-one?
1-(1H-benzimidazol-2-ylmethyl)-5-methoxy-2H-indazol-3-one has a molecular weight of 294.31 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-benzimidazol-2-ylmethyl)-5-methoxy-2H-indazol-3-one is sourced from PubChem (CID 10732532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).