1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-(1-methylimidazol-2-yl)triazole

C17H19N5O — CID 72918948

IUPAC1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-(1-methylimidazol-2-yl)triazole
SMILESCOc1cc2c(cc1Cn1cc(-c3nccn3C)nn1)CCC2
InChIInChI=1S/C17H19N5O/c1-21-7-6-18-17(21)15-11-22(20-19-15)10-14-8-12-4-3-5-13(12)9-16(14)23-2/h6-9,11H,3-5,10H2,1-2H3
InChIKeyBXIATASNQKSGOF-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.22
Rot. Bonds4

About 1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-(1-methylimidazol-2-yl)triazole

1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-(1-methylimidazol-2-yl)triazole (PubChem CID 72918948) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-(1-methylimidazol-2-yl)triazole.

Molecular Properties

Compound Name1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-(1-methylimidazol-2-yl)triazole
PubChem CID72918948
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-(1-methylimidazol-2-yl)triazole
SMILESCOc1cc2c(cc1Cn1cc(-c3nccn3C)nn1)CCC2
InChIInChI=1S/C17H19N5O/c1-21-7-6-18-17(21)15-11-22(20-19-15)10-14-8-12-4-3-5-13(12)9-16(14)23-2/h6-9,11H,3-5,10H2,1-2H3
InChIKeyBXIATASNQKSGOF-UHFFFAOYSA-N
XLogP2.22
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[6-(1h-Imidazol-1-Ylmethyl)-7-Methoxy-2,4-Dihydroindeno[1,2-C]pyrazol-3-Yl]benzonitrile
CID 23661658
10-[(1S)-1-(4-tert-butylpiperazin-1-yl)ethyl]-9-methyl-2-(5-methyl-2-propan-2-yl-1,2,4-triazol-3-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine
CID 68312957
10-[(1R)-1-(4-tert-butylpiperazin-1-yl)ethyl]-9-methyl-2-(5-methyl-2-propan-2-yl-1,2,4-triazol-3-yl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine
CID 68313105
2-Ethyl-7-(4-methoxy-2,5-dimethylphenyl)-3-pentan-2-ylimidazo[4,5-b]pyridine
CID 44458897
9-methyl-2-(5-methyl-2-propan-2-yl-1,2,4-triazol-3-yl)-10-[(1S)-1-(4-propan-2-ylpiperazin-1-yl)ethyl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine
CID 68312980
9-methyl-2-(5-methyl-2-propan-2-yl-1,2,4-triazol-3-yl)-10-[(1R)-1-(4-propan-2-ylpiperazin-1-yl)ethyl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine
CID 68313012
6-(2-Methoxy-6-methylphenyl)-1-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrazolo[3,4-d]pyrimidine
CID 154942746
2-[5-(2,6-Dimethylphenyl)-2-methoxyphenyl]-4,5-dimethyl-1-propylimidazole
CID 46231801
7-[[4-methoxy-3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
CID 56887902
8-[4-methoxy-3-(1H-1,2,4-triazol-1-ylmethyl)benzyl]-6,7,8,9-tetrahydro-5H-imidazo[1,5-a][1,4]diazepine
CID 56910956
4-(4-{1-[2-(3-methoxyphenyl)ethyl]-1H-imidazol-2-yl}-1H-1,2,3-triazol-1-yl)piperidine
CID 70762868
3-[5-(6-methoxy-2,3-dihydro-1H-inden-5-yl)-4-phenyl-1H-imidazol-1-yl]propan-1-ol
CID 50962300

Frequently Asked Questions

What is the IUPAC name of 1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-(1-methylimidazol-2-yl)triazole?
The IUPAC name of 1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-(1-methylimidazol-2-yl)triazole (CID 72918948) is 1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-(1-methylimidazol-2-yl)triazole.
What is the SMILES notation for 1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-(1-methylimidazol-2-yl)triazole?
The canonical SMILES for 1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-(1-methylimidazol-2-yl)triazole is COc1cc2c(cc1Cn1cc(-c3nccn3C)nn1)CCC2.
What is the InChIKey of 1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-(1-methylimidazol-2-yl)triazole?
The InChIKey is BXIATASNQKSGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-21-7-6-18-17(21)15-11-22(20-19-15)10-14-8-12-4-3-5-13(12)9-16(14)23-2/h6-9,11H,3-5,10H2,1-2H3.
What are the key properties of 1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-(1-methylimidazol-2-yl)triazole?
1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-(1-methylimidazol-2-yl)triazole has a molecular weight of 309.37 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-(1-methylimidazol-2-yl)triazole is sourced from PubChem (CID 72918948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).