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Benzydamine

C19H23N3O — CID 12555

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Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3-(1-benzylindazol-3-yl)oxy-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCOc1nn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C19H23N3O/c1-21(2)13-8-14-23-19-17-11-6-7-12-18(17)22(20-19)15-16-9-4-3-5-10-16/h3-7,9-12H,8,13-15H2,1-2H3
InChIKeyCNBGNNVCVSKAQZ-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.42
Rot. Bonds7

About Benzydamine

Benzydamine (PubChem CID 12555) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 3-(1-benzylindazol-3-yl)oxy-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound NameBenzydamine
PubChem CID12555
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name3-(1-benzylindazol-3-yl)oxy-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCOc1nn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C19H23N3O/c1-21(2)13-8-14-23-19-17-11-6-7-12-18(17)22(20-19)15-16-9-4-3-5-10-16/h3-7,9-12H,8,13-15H2,1-2H3
InChIKeyCNBGNNVCVSKAQZ-UHFFFAOYSA-N
XLogP3.42
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(1-benzylindazol-3-yl)oxy-N,N-bis(trideuteriomethyl)propan-1-amine;hydrochloride
CID 71313729
3-(1-benzyl-5-methylindazol-3-yl)oxy-N,N-dimethylpropan-1-amine;methane
CID 158883315
1-benzyl-3-[3-(dimethylamino)propoxy]indazol-5-ol
CID 125299062
1-benzyl-3-(3-chloropropoxy)indazole;hydrochloride
CID 71371657
1-benzyl-3-[3-(dimethylamino)propoxy]indazol-5-ol;hydrochloride
CID 131667992
3-(1-benzylindazol-3-yl)oxy-N,N-dimethylpropan-1-amine;2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;1-hexadecylpyridin-1-ium
CID 122446049
2-(1-benzylindazol-3-yl)oxyacetamide
CID 57182784
1-benzyl-3-prop-1-enoxyindazole
CID 53421497
3-iodopropyl 2-(1-benzylindazol-3-yl)oxyacetate
CID 170695885
3-[(4-methoxyphenyl)methoxy]-1-[(4-methoxyphenyl)methyl]indazole
CID 51357040
3-[3-(azepan-1-yl)propoxy]-1-[(4-chlorophenyl)methyl]indazole
CID 67964835
3-methoxy-1-[(4-methoxyphenyl)methyl]indazole
CID 174608051

Frequently Asked Questions

What is the IUPAC name of Benzydamine?
The IUPAC name of Benzydamine (CID 12555) is 3-(1-benzylindazol-3-yl)oxy-N,N-dimethylpropan-1-amine.
What is the SMILES notation for Benzydamine?
The canonical SMILES for Benzydamine is CN(C)CCCOc1nn(Cc2ccccc2)c2ccccc12.
What is the InChIKey of Benzydamine?
The InChIKey is CNBGNNVCVSKAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-21(2)13-8-14-23-19-17-11-6-7-12-18(17)22(20-19)15-16-9-4-3-5-10-16/h3-7,9-12H,8,13-15H2,1-2H3.
What are the key properties of Benzydamine?
Benzydamine has a molecular weight of 309.41 g/mol, XLogP of 3.42, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Benzydamine is sourced from PubChem (CID 12555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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