(1-benzyl-5-methoxyindazol-3-yl)-phenylmethanone

C22H18N2O2 — CID 12995041

IUPAC(1-benzyl-5-methoxyindazol-3-yl)-phenylmethanone
SMILESCOc1ccc2c(c1)c(C(=O)c1ccccc1)nn2Cc1ccccc1
InChIInChI=1S/C22H18N2O2/c1-26-18-12-13-20-19(14-18)21(22(25)17-10-6-3-7-11-17)23-24(20)15-16-8-4-2-5-9-16/h2-14H,15H2,1H3
InChIKeyJAAUWNVETSYEMM-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.32
Rot. Bonds5

About (1-benzyl-5-methoxyindazol-3-yl)-phenylmethanone

(1-benzyl-5-methoxyindazol-3-yl)-phenylmethanone (PubChem CID 12995041) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is (1-benzyl-5-methoxyindazol-3-yl)-phenylmethanone.

Molecular Properties

Compound Name(1-benzyl-5-methoxyindazol-3-yl)-phenylmethanone
PubChem CID12995041
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name(1-benzyl-5-methoxyindazol-3-yl)-phenylmethanone
SMILESCOc1ccc2c(c1)c(C(=O)c1ccccc1)nn2Cc1ccccc1
InChIInChI=1S/C22H18N2O2/c1-26-18-12-13-20-19(14-18)21(22(25)17-10-6-3-7-11-17)23-24(20)15-16-8-4-2-5-9-16/h2-14H,15H2,1H3
InChIKeyJAAUWNVETSYEMM-UHFFFAOYSA-N
XLogP4.32
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-benzyl-5-methoxyindazol-3-yl)-phenylmethanone?
The IUPAC name of (1-benzyl-5-methoxyindazol-3-yl)-phenylmethanone (CID 12995041) is (1-benzyl-5-methoxyindazol-3-yl)-phenylmethanone.
What is the SMILES notation for (1-benzyl-5-methoxyindazol-3-yl)-phenylmethanone?
The canonical SMILES for (1-benzyl-5-methoxyindazol-3-yl)-phenylmethanone is COc1ccc2c(c1)c(C(=O)c1ccccc1)nn2Cc1ccccc1.
What is the InChIKey of (1-benzyl-5-methoxyindazol-3-yl)-phenylmethanone?
The InChIKey is JAAUWNVETSYEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c1-26-18-12-13-20-19(14-18)21(22(25)17-10-6-3-7-11-17)23-24(20)15-16-8-4-2-5-9-16/h2-14H,15H2,1H3.
What are the key properties of (1-benzyl-5-methoxyindazol-3-yl)-phenylmethanone?
(1-benzyl-5-methoxyindazol-3-yl)-phenylmethanone has a molecular weight of 342.40 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-5-methoxyindazol-3-yl)-phenylmethanone is sourced from PubChem (CID 12995041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).