2-[3-(oxan-4-yl)-5-[(2-propan-2-ylbenzimidazol-1-yl)methyl]-1,2,4-triazol-1-yl]ethanol

C20H27N5O2 — CID 163309210

IUPAC2-[3-(oxan-4-yl)-5-[(2-propan-2-ylbenzimidazol-1-yl)methyl]-1,2,4-triazol-1-yl]ethanol
SMILESCC(C)c1nc2ccccc2n1Cc1nc(C2CCOCC2)nn1CCO
InChIInChI=1S/C20H27N5O2/c1-14(2)20-21-16-5-3-4-6-17(16)24(20)13-18-22-19(23-25(18)9-10-26)15-7-11-27-12-8-15/h3-6,14-15,26H,7-13H2,1-2H3
InChIKeyMWPVKJJYVZJPFY-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.69
Rot. Bonds6

About 2-[3-(oxan-4-yl)-5-[(2-propan-2-ylbenzimidazol-1-yl)methyl]-1,2,4-triazol-1-yl]ethanol

2-[3-(oxan-4-yl)-5-[(2-propan-2-ylbenzimidazol-1-yl)methyl]-1,2,4-triazol-1-yl]ethanol (PubChem CID 163309210) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-[3-(oxan-4-yl)-5-[(2-propan-2-ylbenzimidazol-1-yl)methyl]-1,2,4-triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-(oxan-4-yl)-5-[(2-propan-2-ylbenzimidazol-1-yl)methyl]-1,2,4-triazol-1-yl]ethanol
PubChem CID163309210
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name2-[3-(oxan-4-yl)-5-[(2-propan-2-ylbenzimidazol-1-yl)methyl]-1,2,4-triazol-1-yl]ethanol
SMILESCC(C)c1nc2ccccc2n1Cc1nc(C2CCOCC2)nn1CCO
InChIInChI=1S/C20H27N5O2/c1-14(2)20-21-16-5-3-4-6-17(16)24(20)13-18-22-19(23-25(18)9-10-26)15-7-11-27-12-8-15/h3-6,14-15,26H,7-13H2,1-2H3
InChIKeyMWPVKJJYVZJPFY-UHFFFAOYSA-N
XLogP2.69
TPSA77.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[3-(oxan-4-yl)-5-[(2-propan-2-ylbenzimidazol-1-yl)methyl]-1,2,4-triazol-1-yl]ethanol with MolForge

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Related Compounds

3-(oxolan-3-yl)-5-[(2-propan-2-ylbenzimidazol-1-yl)methyl]-1,2,4-oxadiazole
CID 72856359
2-[1-butyl-5-[(2-propan-2-ylbenzimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]acetamide
CID 157013188
1-morpholin-4-yl-2-(2-propan-2-ylbenzimidazol-1-yl)ethanone
CID 16996586
1-ethyl-2-propan-2-ylbenzimidazole
CID 962427
5-(methylsulfanylmethyl)-3-(oxan-4-yl)-1-(2-phenylethyl)-1,2,4-triazole
CID 72929314
3-(2-propan-2-ylbenzimidazol-1-yl)propanamide
CID 3627686
2-(2-morpholin-4-ylbenzimidazol-1-yl)ethanol
CID 46784646
2-(1-methylbenzimidazol-2-yl)-1-(oxan-4-yl)ethanol
CID 79753334
2-(1-ethylbenzimidazol-2-yl)-1-(oxan-4-yl)ethanol
CID 79753249
2-[4-[[1-(1-ethylbenzimidazol-2-yl)ethylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
CID 110908367
2-(2-propan-2-yl-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)ethanol
CID 82149428
2-[2-(2-amino-1-methoxyethyl)benzimidazol-1-yl]ethanol
CID 106108732

Frequently Asked Questions

What is the IUPAC name of 2-[3-(oxan-4-yl)-5-[(2-propan-2-ylbenzimidazol-1-yl)methyl]-1,2,4-triazol-1-yl]ethanol?
The IUPAC name of 2-[3-(oxan-4-yl)-5-[(2-propan-2-ylbenzimidazol-1-yl)methyl]-1,2,4-triazol-1-yl]ethanol (CID 163309210) is 2-[3-(oxan-4-yl)-5-[(2-propan-2-ylbenzimidazol-1-yl)methyl]-1,2,4-triazol-1-yl]ethanol.
What is the SMILES notation for 2-[3-(oxan-4-yl)-5-[(2-propan-2-ylbenzimidazol-1-yl)methyl]-1,2,4-triazol-1-yl]ethanol?
The canonical SMILES for 2-[3-(oxan-4-yl)-5-[(2-propan-2-ylbenzimidazol-1-yl)methyl]-1,2,4-triazol-1-yl]ethanol is CC(C)c1nc2ccccc2n1Cc1nc(C2CCOCC2)nn1CCO.
What is the InChIKey of 2-[3-(oxan-4-yl)-5-[(2-propan-2-ylbenzimidazol-1-yl)methyl]-1,2,4-triazol-1-yl]ethanol?
The InChIKey is MWPVKJJYVZJPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-14(2)20-21-16-5-3-4-6-17(16)24(20)13-18-22-19(23-25(18)9-10-26)15-7-11-27-12-8-15/h3-6,14-15,26H,7-13H2,1-2H3.
What are the key properties of 2-[3-(oxan-4-yl)-5-[(2-propan-2-ylbenzimidazol-1-yl)methyl]-1,2,4-triazol-1-yl]ethanol?
2-[3-(oxan-4-yl)-5-[(2-propan-2-ylbenzimidazol-1-yl)methyl]-1,2,4-triazol-1-yl]ethanol has a molecular weight of 369.47 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(oxan-4-yl)-5-[(2-propan-2-ylbenzimidazol-1-yl)methyl]-1,2,4-triazol-1-yl]ethanol is sourced from PubChem (CID 163309210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).