2-[4-[[4-(oxolan-3-yl)triazol-1-yl]methyl]cyclohexyl]-1H-benzimidazole

C20H25N5O — CID 72860324

IUPAC2-[4-[[4-(oxolan-3-yl)triazol-1-yl]methyl]cyclohexyl]-1H-benzimidazole
SMILESc1ccc2[nH]c(C3CCC(Cn4cc(C5CCOC5)nn4)CC3)nc2c1
InChIInChI=1S/C20H25N5O/c1-2-4-18-17(3-1)21-20(22-18)15-7-5-14(6-8-15)11-25-12-19(23-24-25)16-9-10-26-13-16/h1-4,12,14-16H,5-11,13H2,(H,21,22)
InChIKeyDXFKQMRXJRXTMJ-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.63
Rot. Bonds4

About 2-[4-[[4-(oxolan-3-yl)triazol-1-yl]methyl]cyclohexyl]-1H-benzimidazole

2-[4-[[4-(oxolan-3-yl)triazol-1-yl]methyl]cyclohexyl]-1H-benzimidazole (PubChem CID 72860324) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-[4-[[4-(oxolan-3-yl)triazol-1-yl]methyl]cyclohexyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[4-[[4-(oxolan-3-yl)triazol-1-yl]methyl]cyclohexyl]-1H-benzimidazole
PubChem CID72860324
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name2-[4-[[4-(oxolan-3-yl)triazol-1-yl]methyl]cyclohexyl]-1H-benzimidazole
SMILESc1ccc2[nH]c(C3CCC(Cn4cc(C5CCOC5)nn4)CC3)nc2c1
InChIInChI=1S/C20H25N5O/c1-2-4-18-17(3-1)21-20(22-18)15-7-5-14(6-8-15)11-25-12-19(23-24-25)16-9-10-26-13-16/h1-4,12,14-16H,5-11,13H2,(H,21,22)
InChIKeyDXFKQMRXJRXTMJ-UHFFFAOYSA-N
XLogP3.63
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(oxolan-3-yl)triazol-1-yl]methyl]cyclohexyl]-1H-benzimidazole?
The IUPAC name of 2-[4-[[4-(oxolan-3-yl)triazol-1-yl]methyl]cyclohexyl]-1H-benzimidazole (CID 72860324) is 2-[4-[[4-(oxolan-3-yl)triazol-1-yl]methyl]cyclohexyl]-1H-benzimidazole.
What is the SMILES notation for 2-[4-[[4-(oxolan-3-yl)triazol-1-yl]methyl]cyclohexyl]-1H-benzimidazole?
The canonical SMILES for 2-[4-[[4-(oxolan-3-yl)triazol-1-yl]methyl]cyclohexyl]-1H-benzimidazole is c1ccc2[nH]c(C3CCC(Cn4cc(C5CCOC5)nn4)CC3)nc2c1.
What is the InChIKey of 2-[4-[[4-(oxolan-3-yl)triazol-1-yl]methyl]cyclohexyl]-1H-benzimidazole?
The InChIKey is DXFKQMRXJRXTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-2-4-18-17(3-1)21-20(22-18)15-7-5-14(6-8-15)11-25-12-19(23-24-25)16-9-10-26-13-16/h1-4,12,14-16H,5-11,13H2,(H,21,22).
What are the key properties of 2-[4-[[4-(oxolan-3-yl)triazol-1-yl]methyl]cyclohexyl]-1H-benzimidazole?
2-[4-[[4-(oxolan-3-yl)triazol-1-yl]methyl]cyclohexyl]-1H-benzimidazole has a molecular weight of 351.45 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(oxolan-3-yl)triazol-1-yl]methyl]cyclohexyl]-1H-benzimidazole is sourced from PubChem (CID 72860324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).