2-[5-cyclopropyl-3-(oxolan-3-yl)-1,2,4-triazol-1-yl]-1H-benzimidazole

C16H17N5O — CID 74250381

IUPAC2-[5-cyclopropyl-3-(oxolan-3-yl)-1,2,4-triazol-1-yl]-1H-benzimidazole
SMILESc1ccc2[nH]c(-n3nc(C4CCOC4)nc3C3CC3)nc2c1
InChIInChI=1S/C16H17N5O/c1-2-4-13-12(3-1)17-16(18-13)21-15(10-5-6-10)19-14(20-21)11-7-8-22-9-11/h1-4,10-11H,5-9H2,(H,17,18)
InChIKeyJNYPDSORDJNJJU-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.52
Rot. Bonds3

About 2-[5-cyclopropyl-3-(oxolan-3-yl)-1,2,4-triazol-1-yl]-1H-benzimidazole

2-[5-cyclopropyl-3-(oxolan-3-yl)-1,2,4-triazol-1-yl]-1H-benzimidazole (PubChem CID 74250381) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 2-[5-cyclopropyl-3-(oxolan-3-yl)-1,2,4-triazol-1-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[5-cyclopropyl-3-(oxolan-3-yl)-1,2,4-triazol-1-yl]-1H-benzimidazole
PubChem CID74250381
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name2-[5-cyclopropyl-3-(oxolan-3-yl)-1,2,4-triazol-1-yl]-1H-benzimidazole
SMILESc1ccc2[nH]c(-n3nc(C4CCOC4)nc3C3CC3)nc2c1
InChIInChI=1S/C16H17N5O/c1-2-4-13-12(3-1)17-16(18-13)21-15(10-5-6-10)19-14(20-21)11-7-8-22-9-11/h1-4,10-11H,5-9H2,(H,17,18)
InChIKeyJNYPDSORDJNJJU-UHFFFAOYSA-N
XLogP2.52
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-cyclopropyl-3-(oxolan-3-yl)-1,2,4-triazol-1-yl]-1H-benzimidazole?
The IUPAC name of 2-[5-cyclopropyl-3-(oxolan-3-yl)-1,2,4-triazol-1-yl]-1H-benzimidazole (CID 74250381) is 2-[5-cyclopropyl-3-(oxolan-3-yl)-1,2,4-triazol-1-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[5-cyclopropyl-3-(oxolan-3-yl)-1,2,4-triazol-1-yl]-1H-benzimidazole?
The canonical SMILES for 2-[5-cyclopropyl-3-(oxolan-3-yl)-1,2,4-triazol-1-yl]-1H-benzimidazole is c1ccc2[nH]c(-n3nc(C4CCOC4)nc3C3CC3)nc2c1.
What is the InChIKey of 2-[5-cyclopropyl-3-(oxolan-3-yl)-1,2,4-triazol-1-yl]-1H-benzimidazole?
The InChIKey is JNYPDSORDJNJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-2-4-13-12(3-1)17-16(18-13)21-15(10-5-6-10)19-14(20-21)11-7-8-22-9-11/h1-4,10-11H,5-9H2,(H,17,18).
What are the key properties of 2-[5-cyclopropyl-3-(oxolan-3-yl)-1,2,4-triazol-1-yl]-1H-benzimidazole?
2-[5-cyclopropyl-3-(oxolan-3-yl)-1,2,4-triazol-1-yl]-1H-benzimidazole has a molecular weight of 295.35 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-cyclopropyl-3-(oxolan-3-yl)-1,2,4-triazol-1-yl]-1H-benzimidazole is sourced from PubChem (CID 74250381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).