6-[2-(2-ethyl-1,2,4-triazol-3-yl)imidazol-1-yl]-2-propan-2-yl-1H-benzimidazole

C17H19N7 — CID 138806754

IUPAC6-[2-(2-ethyl-1,2,4-triazol-3-yl)imidazol-1-yl]-2-propan-2-yl-1H-benzimidazole
SMILESCCn1ncnc1-c1nccn1-c1ccc2nc(C(C)C)[nH]c2c1
InChIInChI=1S/C17H19N7/c1-4-24-17(19-10-20-24)16-18-7-8-23(16)12-5-6-13-14(9-12)22-15(21-13)11(2)3/h5-11H,4H2,1-3H3,(H,21,22)
InChIKeyXYWWVDVQWZHEJZ-UHFFFAOYSA-N
MW321.39 g/mol
LogP3.15
Rot. Bonds4

About 6-[2-(2-ethyl-1,2,4-triazol-3-yl)imidazol-1-yl]-2-propan-2-yl-1H-benzimidazole

6-[2-(2-ethyl-1,2,4-triazol-3-yl)imidazol-1-yl]-2-propan-2-yl-1H-benzimidazole (PubChem CID 138806754) has the molecular formula C17H19N7 and a molecular weight of 321.39 g/mol. Its IUPAC name is 6-[2-(2-ethyl-1,2,4-triazol-3-yl)imidazol-1-yl]-2-propan-2-yl-1H-benzimidazole.

Molecular Properties

Compound Name6-[2-(2-ethyl-1,2,4-triazol-3-yl)imidazol-1-yl]-2-propan-2-yl-1H-benzimidazole
PubChem CID138806754
Molecular FormulaC17H19N7
Molecular Weight321.39 g/mol
Exact Mass321.17
IUPAC Name6-[2-(2-ethyl-1,2,4-triazol-3-yl)imidazol-1-yl]-2-propan-2-yl-1H-benzimidazole
SMILESCCn1ncnc1-c1nccn1-c1ccc2nc(C(C)C)[nH]c2c1
InChIInChI=1S/C17H19N7/c1-4-24-17(19-10-20-24)16-18-7-8-23(16)12-5-6-13-14(9-12)22-15(21-13)11(2)3/h5-11H,4H2,1-3H3,(H,21,22)
InChIKeyXYWWVDVQWZHEJZ-UHFFFAOYSA-N
XLogP3.15
TPSA77.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-ethyl-1,2,4-triazol-3-yl)imidazol-1-yl]-2-propan-2-yl-1H-benzimidazole?
The IUPAC name of 6-[2-(2-ethyl-1,2,4-triazol-3-yl)imidazol-1-yl]-2-propan-2-yl-1H-benzimidazole (CID 138806754) is 6-[2-(2-ethyl-1,2,4-triazol-3-yl)imidazol-1-yl]-2-propan-2-yl-1H-benzimidazole.
What is the SMILES notation for 6-[2-(2-ethyl-1,2,4-triazol-3-yl)imidazol-1-yl]-2-propan-2-yl-1H-benzimidazole?
The canonical SMILES for 6-[2-(2-ethyl-1,2,4-triazol-3-yl)imidazol-1-yl]-2-propan-2-yl-1H-benzimidazole is CCn1ncnc1-c1nccn1-c1ccc2nc(C(C)C)[nH]c2c1.
What is the InChIKey of 6-[2-(2-ethyl-1,2,4-triazol-3-yl)imidazol-1-yl]-2-propan-2-yl-1H-benzimidazole?
The InChIKey is XYWWVDVQWZHEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7/c1-4-24-17(19-10-20-24)16-18-7-8-23(16)12-5-6-13-14(9-12)22-15(21-13)11(2)3/h5-11H,4H2,1-3H3,(H,21,22).
What are the key properties of 6-[2-(2-ethyl-1,2,4-triazol-3-yl)imidazol-1-yl]-2-propan-2-yl-1H-benzimidazole?
6-[2-(2-ethyl-1,2,4-triazol-3-yl)imidazol-1-yl]-2-propan-2-yl-1H-benzimidazole has a molecular weight of 321.39 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-ethyl-1,2,4-triazol-3-yl)imidazol-1-yl]-2-propan-2-yl-1H-benzimidazole is sourced from PubChem (CID 138806754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).