5-(2-phenyl-4H-imidazol-5-yl)-1-propan-2-ylbenzotriazole

C18H17N5 — CID 156521857

IUPAC5-(2-phenyl-4H-imidazol-5-yl)-1-propan-2-ylbenzotriazole
SMILESCC(C)n1nnc2cc(C3=NC(c4ccccc4)=NC3)ccc21
InChIInChI=1S/C18H17N5/c1-12(2)23-17-9-8-14(10-15(17)21-22-23)16-11-19-18(20-16)13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3
InChIKeyIRQGZSNLVHLEFC-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.26
Rot. Bonds3

About 5-(2-phenyl-4H-imidazol-5-yl)-1-propan-2-ylbenzotriazole

5-(2-phenyl-4H-imidazol-5-yl)-1-propan-2-ylbenzotriazole (PubChem CID 156521857) has the molecular formula C18H17N5 and a molecular weight of 303.37 g/mol. Its IUPAC name is 5-(2-phenyl-4H-imidazol-5-yl)-1-propan-2-ylbenzotriazole.

Molecular Properties

Compound Name5-(2-phenyl-4H-imidazol-5-yl)-1-propan-2-ylbenzotriazole
PubChem CID156521857
Molecular FormulaC18H17N5
Molecular Weight303.37 g/mol
Exact Mass303.15
IUPAC Name5-(2-phenyl-4H-imidazol-5-yl)-1-propan-2-ylbenzotriazole
SMILESCC(C)n1nnc2cc(C3=NC(c4ccccc4)=NC3)ccc21
InChIInChI=1S/C18H17N5/c1-12(2)23-17-9-8-14(10-15(17)21-22-23)16-11-19-18(20-16)13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3
InChIKeyIRQGZSNLVHLEFC-UHFFFAOYSA-N
XLogP3.26
TPSA55.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-phenyl-4H-imidazol-5-yl)-1-propan-2-ylbenzotriazole?
The IUPAC name of 5-(2-phenyl-4H-imidazol-5-yl)-1-propan-2-ylbenzotriazole (CID 156521857) is 5-(2-phenyl-4H-imidazol-5-yl)-1-propan-2-ylbenzotriazole.
What is the SMILES notation for 5-(2-phenyl-4H-imidazol-5-yl)-1-propan-2-ylbenzotriazole?
The canonical SMILES for 5-(2-phenyl-4H-imidazol-5-yl)-1-propan-2-ylbenzotriazole is CC(C)n1nnc2cc(C3=NC(c4ccccc4)=NC3)ccc21.
What is the InChIKey of 5-(2-phenyl-4H-imidazol-5-yl)-1-propan-2-ylbenzotriazole?
The InChIKey is IRQGZSNLVHLEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5/c1-12(2)23-17-9-8-14(10-15(17)21-22-23)16-11-19-18(20-16)13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3.
What are the key properties of 5-(2-phenyl-4H-imidazol-5-yl)-1-propan-2-ylbenzotriazole?
5-(2-phenyl-4H-imidazol-5-yl)-1-propan-2-ylbenzotriazole has a molecular weight of 303.37 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenyl-4H-imidazol-5-yl)-1-propan-2-ylbenzotriazole is sourced from PubChem (CID 156521857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).