3-[2-[4-[3-(1H-imidazol-5-yl)propyl]-5-[(2-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]ethyl]-1H-indole

C26H28N6O — CID 142471814

IUPAC3-[2-[4-[3-(1H-imidazol-5-yl)propyl]-5-[(2-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]ethyl]-1H-indole
SMILESCOc1ccccc1Cc1nnc(CCc2c[nH]c3ccccc23)n1CCCc1cnc[nH]1
InChIInChI=1S/C26H28N6O/c1-33-24-11-5-2-7-19(24)15-26-31-30-25(32(26)14-6-8-21-17-27-18-29-21)13-12-20-16-28-23-10-4-3-9-22(20)23/h2-5,7,9-11,16-18,28H,6,8,12-15H2,1H3,(H,27,29)
InChIKeyLBHHYXZZVWUQOJ-UHFFFAOYSA-N
MW440.55 g/mol
LogP4.50
Rot. Bonds10

About 3-[2-[4-[3-(1H-imidazol-5-yl)propyl]-5-[(2-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]ethyl]-1H-indole

3-[2-[4-[3-(1H-imidazol-5-yl)propyl]-5-[(2-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]ethyl]-1H-indole (PubChem CID 142471814) has the molecular formula C26H28N6O and a molecular weight of 440.55 g/mol. Its IUPAC name is 3-[2-[4-[3-(1H-imidazol-5-yl)propyl]-5-[(2-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]ethyl]-1H-indole.

Molecular Properties

Compound Name3-[2-[4-[3-(1H-imidazol-5-yl)propyl]-5-[(2-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]ethyl]-1H-indole
PubChem CID142471814
Molecular FormulaC26H28N6O
Molecular Weight440.55 g/mol
Exact Mass440.23
IUPAC Name3-[2-[4-[3-(1H-imidazol-5-yl)propyl]-5-[(2-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]ethyl]-1H-indole
SMILESCOc1ccccc1Cc1nnc(CCc2c[nH]c3ccccc23)n1CCCc1cnc[nH]1
InChIInChI=1S/C26H28N6O/c1-33-24-11-5-2-7-19(24)15-26-31-30-25(32(26)14-6-8-21-17-27-18-29-21)13-12-20-16-28-23-10-4-3-9-22(20)23/h2-5,7,9-11,16-18,28H,6,8,12-15H2,1H3,(H,27,29)
InChIKeyLBHHYXZZVWUQOJ-UHFFFAOYSA-N
XLogP4.50
TPSA84.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-[5-[(3-chloro-5-methylphenyl)methyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazol-3-yl]ethyl]-1H-indole
CID 161327865
3-[(2-methoxyphenyl)methyl]-1H-indole
CID 102404836
6-fluoro-3-[[4-[3-(1H-imidazol-5-yl)propyl]-5-pyridin-2-ylsulfanyl-1,2,4-triazol-3-yl]methyl]-1H-indole
CID 166927803
6-fluoro-3-[[4-[3-(1H-imidazol-5-yl)propyl]-5-(4-methylphenyl)sulfanyl-1,2,4-triazol-3-yl]methyl]-1H-indole
CID 142471774
3-[5-benzylsulfanyl-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazol-3-yl]-1H-indole
CID 142471688
3-[4-[3-(1H-imidazol-5-yl)propyl]-5-(4-methylphenyl)sulfanyl-1,2,4-triazol-3-yl]-1H-indole
CID 163819977
N-[N'-[3-(1H-imidazol-5-yl)propyl]carbamimidoyl]-2-(1H-indol-3-yl)acetamide
CID 42626109
3-[[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-1H-indole
CID 712566
3-N-[2-(1H-indol-3-yl)ethyl]-5-N-[2-(2-methoxyphenyl)ethyl]-1,2,4-triazine-3,5-diamine
CID 112953897
1-[2-(1H-indol-3-yl)ethyl]-3-[2-(2-methoxyphenyl)ethyl]-2-methylguanidine;hydroiodide
CID 110996658
3-[3-[4-(3-methoxy-4-pyridinyl)-2-methylpiperazin-1-yl]propyl]-1H-indole
CID 15288310
N-[2-(1H-indol-3-yl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 4796568

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-[3-(1H-imidazol-5-yl)propyl]-5-[(2-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]ethyl]-1H-indole?
The IUPAC name of 3-[2-[4-[3-(1H-imidazol-5-yl)propyl]-5-[(2-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]ethyl]-1H-indole (CID 142471814) is 3-[2-[4-[3-(1H-imidazol-5-yl)propyl]-5-[(2-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]ethyl]-1H-indole.
What is the SMILES notation for 3-[2-[4-[3-(1H-imidazol-5-yl)propyl]-5-[(2-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]ethyl]-1H-indole?
The canonical SMILES for 3-[2-[4-[3-(1H-imidazol-5-yl)propyl]-5-[(2-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]ethyl]-1H-indole is COc1ccccc1Cc1nnc(CCc2c[nH]c3ccccc23)n1CCCc1cnc[nH]1.
What is the InChIKey of 3-[2-[4-[3-(1H-imidazol-5-yl)propyl]-5-[(2-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]ethyl]-1H-indole?
The InChIKey is LBHHYXZZVWUQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O/c1-33-24-11-5-2-7-19(24)15-26-31-30-25(32(26)14-6-8-21-17-27-18-29-21)13-12-20-16-28-23-10-4-3-9-22(20)23/h2-5,7,9-11,16-18,28H,6,8,12-15H2,1H3,(H,27,29).
What are the key properties of 3-[2-[4-[3-(1H-imidazol-5-yl)propyl]-5-[(2-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]ethyl]-1H-indole?
3-[2-[4-[3-(1H-imidazol-5-yl)propyl]-5-[(2-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]ethyl]-1H-indole has a molecular weight of 440.55 g/mol, XLogP of 4.50, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-[3-(1H-imidazol-5-yl)propyl]-5-[(2-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]ethyl]-1H-indole is sourced from PubChem (CID 142471814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).