1-[5-[1-[[3-[(dimethylamino)methyl]phenyl]methyl]triazol-4-yl]-2,3-dihydroindol-1-yl]ethanone

C22H25N5O — CID 166314774

IUPAC1-[5-[1-[[3-[(dimethylamino)methyl]phenyl]methyl]triazol-4-yl]-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(-c3cn(Cc4cccc(CN(C)C)c4)nn3)ccc21
InChIInChI=1S/C22H25N5O/c1-16(28)27-10-9-20-12-19(7-8-22(20)27)21-15-26(24-23-21)14-18-6-4-5-17(11-18)13-25(2)3/h4-8,11-12,15H,9-10,13-14H2,1-3H3
InChIKeyONZJLBIUPAYBIA-UHFFFAOYSA-N
MW375.48 g/mol
LogP2.96
Rot. Bonds5

About 1-[5-[1-[[3-[(dimethylamino)methyl]phenyl]methyl]triazol-4-yl]-2,3-dihydroindol-1-yl]ethanone

1-[5-[1-[[3-[(dimethylamino)methyl]phenyl]methyl]triazol-4-yl]-2,3-dihydroindol-1-yl]ethanone (PubChem CID 166314774) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 1-[5-[1-[[3-[(dimethylamino)methyl]phenyl]methyl]triazol-4-yl]-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-[1-[[3-[(dimethylamino)methyl]phenyl]methyl]triazol-4-yl]-2,3-dihydroindol-1-yl]ethanone
PubChem CID166314774
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name1-[5-[1-[[3-[(dimethylamino)methyl]phenyl]methyl]triazol-4-yl]-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(-c3cn(Cc4cccc(CN(C)C)c4)nn3)ccc21
InChIInChI=1S/C22H25N5O/c1-16(28)27-10-9-20-12-19(7-8-22(20)27)21-15-26(24-23-21)14-18-6-4-5-17(11-18)13-25(2)3/h4-8,11-12,15H,9-10,13-14H2,1-3H3
InChIKeyONZJLBIUPAYBIA-UHFFFAOYSA-N
XLogP2.96
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[5-[1-[[3-[(dimethylamino)methyl]phenyl]methyl]triazol-4-yl]-2,3-dihydroindol-1-yl]ethanone with MolForge

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Related Compounds

1-[5-[1-[[5-bromo-2-(trifluoromethyl)phenyl]methyl]triazol-4-yl]-2,3-dihydroindol-1-yl]ethanone
CID 154878283
3-[3-[[4-[4-[(dimethylamino)methyl]phenyl]triazol-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide
CID 123453089
1-[5-[benzyl(methyl)amino]-2,3-dihydroindol-1-yl]ethanone
CID 110454560
1-acetyl-N-[[2-[4-[(dimethylamino)methyl]phenyl]phenyl]methyl]-2,3-dihydroindole-5-carboxamide
CID 38262055
1-[(3-benzylphenyl)methyl]-4-phenyltriazole
CID 11993966
3-[[4-(4-hydroxyphenyl)triazol-1-yl]methyl]phenol
CID 57390248
1-acetyl-N,N-dibenzyl-2,3-dihydroindole-5-carboxamide
CID 51271981
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide
CID 17461202
1-[5-(N-methylanilino)-2,3-dihydroindol-1-yl]ethanone
CID 110454978
1-[4-(1-acetyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one
CID 82540698
1-[5-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone
CID 39441168
1-acetyl-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2,3-dihydroindole-5-carboxamide
CID 24550296

Frequently Asked Questions

What is the IUPAC name of 1-[5-[1-[[3-[(dimethylamino)methyl]phenyl]methyl]triazol-4-yl]-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[5-[1-[[3-[(dimethylamino)methyl]phenyl]methyl]triazol-4-yl]-2,3-dihydroindol-1-yl]ethanone (CID 166314774) is 1-[5-[1-[[3-[(dimethylamino)methyl]phenyl]methyl]triazol-4-yl]-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[5-[1-[[3-[(dimethylamino)methyl]phenyl]methyl]triazol-4-yl]-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[5-[1-[[3-[(dimethylamino)methyl]phenyl]methyl]triazol-4-yl]-2,3-dihydroindol-1-yl]ethanone is CC(=O)N1CCc2cc(-c3cn(Cc4cccc(CN(C)C)c4)nn3)ccc21.
What is the InChIKey of 1-[5-[1-[[3-[(dimethylamino)methyl]phenyl]methyl]triazol-4-yl]-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is ONZJLBIUPAYBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-16(28)27-10-9-20-12-19(7-8-22(20)27)21-15-26(24-23-21)14-18-6-4-5-17(11-18)13-25(2)3/h4-8,11-12,15H,9-10,13-14H2,1-3H3.
What are the key properties of 1-[5-[1-[[3-[(dimethylamino)methyl]phenyl]methyl]triazol-4-yl]-2,3-dihydroindol-1-yl]ethanone?
1-[5-[1-[[3-[(dimethylamino)methyl]phenyl]methyl]triazol-4-yl]-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 375.48 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[1-[[3-[(dimethylamino)methyl]phenyl]methyl]triazol-4-yl]-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 166314774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).