4-(1H-imidazol-2-yl)-5-[5-(phenylmethoxymethyl)-1H-pyrrol-3-yl]-2H-triazole

C17H16N6O — CID 136652172

IUPAC4-(1H-imidazol-2-yl)-5-[5-(phenylmethoxymethyl)-1H-pyrrol-3-yl]-2H-triazole
SMILESc1ccc(COCc2cc(-c3n[nH]nc3-c3ncc[nH]3)c[nH]2)cc1
InChIInChI=1S/C17H16N6O/c1-2-4-12(5-3-1)10-24-11-14-8-13(9-20-14)15-16(22-23-21-15)17-18-6-7-19-17/h1-9,20H,10-11H2,(H,18,19)(H,21,22,23)
InChIKeySGTYGBZGTVSKCT-UHFFFAOYSA-N
MW320.36 g/mol
LogP2.91
Rot. Bonds6

About 4-(1H-imidazol-2-yl)-5-[5-(phenylmethoxymethyl)-1H-pyrrol-3-yl]-2H-triazole

4-(1H-imidazol-2-yl)-5-[5-(phenylmethoxymethyl)-1H-pyrrol-3-yl]-2H-triazole (PubChem CID 136652172) has the molecular formula C17H16N6O and a molecular weight of 320.36 g/mol. Its IUPAC name is 4-(1H-imidazol-2-yl)-5-[5-(phenylmethoxymethyl)-1H-pyrrol-3-yl]-2H-triazole.

Molecular Properties

Compound Name4-(1H-imidazol-2-yl)-5-[5-(phenylmethoxymethyl)-1H-pyrrol-3-yl]-2H-triazole
PubChem CID136652172
Molecular FormulaC17H16N6O
Molecular Weight320.36 g/mol
Exact Mass320.14
IUPAC Name4-(1H-imidazol-2-yl)-5-[5-(phenylmethoxymethyl)-1H-pyrrol-3-yl]-2H-triazole
SMILESc1ccc(COCc2cc(-c3n[nH]nc3-c3ncc[nH]3)c[nH]2)cc1
InChIInChI=1S/C17H16N6O/c1-2-4-12(5-3-1)10-24-11-14-8-13(9-20-14)15-16(22-23-21-15)17-18-6-7-19-17/h1-9,20H,10-11H2,(H,18,19)(H,21,22,23)
InChIKeySGTYGBZGTVSKCT-UHFFFAOYSA-N
XLogP2.91
TPSA95.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(benzyloxy)methyl]-1-[2-(1H-imidazol-4-yl)ethyl]-1H-1,2,3-triazole
CID 72858444
2-[(4-fluorophenyl)-(2-pyrrolidin-1-ylethoxy)methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 58494438
(Z)-3-[5-[6-(1,3-dioxolan-2-yl)-2-pyridinyl]-1H-imidazol-2-yl]-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]prop-2-en-1-imine
CID 136950074
(2R)-2-[6-(3-fluorophenyl)-2-pyridinyl]-4-(1H-imidazol-2-ylmethyl)morpholine
CID 124939801
(2S)-2-[6-(3-fluorophenyl)-2-pyridinyl]-4-(1H-imidazol-2-ylmethyl)morpholine
CID 124939802
2-[6-(3-fluorophenyl)-2-pyridinyl]-4-(1H-imidazol-2-ylmethyl)morpholine
CID 127250564
1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-(phenylmethoxymethyl)-5-[5-(trifluoromethyl)-1H-pyrrol-3-yl]-1,2,4-triazole
CID 166388319
3-[3-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-5-phenylimidazol-4-yl]pyridine
CID 50966393
5-(3-ethylimidazol-4-yl)-1-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4-phenylimidazole
CID 50974913
3'-(3,4-dihydro-1H-isochromen-1-ylmethyl)-5'-phenyl-1H,3'H-2,4'-biimidazole
CID 50984038
2-(5-methyl-1H-imidazol-4-yl)-1-(2-phenylmethoxycyclopentyl)imidazole
CID 77850811
4-[2-methyl-1-[2-(phenylmethoxymethyl)-1H-imidazol-5-yl]propyl]pyridine
CID 57048676

Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-2-yl)-5-[5-(phenylmethoxymethyl)-1H-pyrrol-3-yl]-2H-triazole?
The IUPAC name of 4-(1H-imidazol-2-yl)-5-[5-(phenylmethoxymethyl)-1H-pyrrol-3-yl]-2H-triazole (CID 136652172) is 4-(1H-imidazol-2-yl)-5-[5-(phenylmethoxymethyl)-1H-pyrrol-3-yl]-2H-triazole.
What is the SMILES notation for 4-(1H-imidazol-2-yl)-5-[5-(phenylmethoxymethyl)-1H-pyrrol-3-yl]-2H-triazole?
The canonical SMILES for 4-(1H-imidazol-2-yl)-5-[5-(phenylmethoxymethyl)-1H-pyrrol-3-yl]-2H-triazole is c1ccc(COCc2cc(-c3n[nH]nc3-c3ncc[nH]3)c[nH]2)cc1.
What is the InChIKey of 4-(1H-imidazol-2-yl)-5-[5-(phenylmethoxymethyl)-1H-pyrrol-3-yl]-2H-triazole?
The InChIKey is SGTYGBZGTVSKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O/c1-2-4-12(5-3-1)10-24-11-14-8-13(9-20-14)15-16(22-23-21-15)17-18-6-7-19-17/h1-9,20H,10-11H2,(H,18,19)(H,21,22,23).
What are the key properties of 4-(1H-imidazol-2-yl)-5-[5-(phenylmethoxymethyl)-1H-pyrrol-3-yl]-2H-triazole?
4-(1H-imidazol-2-yl)-5-[5-(phenylmethoxymethyl)-1H-pyrrol-3-yl]-2H-triazole has a molecular weight of 320.36 g/mol, XLogP of 2.91, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-2-yl)-5-[5-(phenylmethoxymethyl)-1H-pyrrol-3-yl]-2H-triazole is sourced from PubChem (CID 136652172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).