2-methyl-5-[2-[2-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]-1H-imidazol-5-yl]ethyl]-1H-imidazole

C15H20N6 — CID 91053214

IUPAC2-methyl-5-[2-[2-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]-1H-imidazol-5-yl]ethyl]-1H-imidazole
SMILESCc1cc(CCc2ncc(CCc3cnc(C)[nH]3)[nH]2)n[nH]1
InChIInChI=1S/C15H20N6/c1-10-7-12(21-20-10)5-6-15-17-9-14(19-15)4-3-13-8-16-11(2)18-13/h7-9H,3-6H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)
InChIKeySJTIWMISUNWSBJ-UHFFFAOYSA-N
MW284.37 g/mol
LogP2.04
Rot. Bonds6

About 2-methyl-5-[2-[2-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]-1H-imidazol-5-yl]ethyl]-1H-imidazole

2-methyl-5-[2-[2-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]-1H-imidazol-5-yl]ethyl]-1H-imidazole (PubChem CID 91053214) has the molecular formula C15H20N6 and a molecular weight of 284.37 g/mol. Its IUPAC name is 2-methyl-5-[2-[2-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]-1H-imidazol-5-yl]ethyl]-1H-imidazole.

Molecular Properties

Compound Name2-methyl-5-[2-[2-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]-1H-imidazol-5-yl]ethyl]-1H-imidazole
PubChem CID91053214
Molecular FormulaC15H20N6
Molecular Weight284.37 g/mol
Exact Mass284.17
IUPAC Name2-methyl-5-[2-[2-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]-1H-imidazol-5-yl]ethyl]-1H-imidazole
SMILESCc1cc(CCc2ncc(CCc3cnc(C)[nH]3)[nH]2)n[nH]1
InChIInChI=1S/C15H20N6/c1-10-7-12(21-20-10)5-6-15-17-9-14(19-15)4-3-13-8-16-11(2)18-13/h7-9H,3-6H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)
InChIKeySJTIWMISUNWSBJ-UHFFFAOYSA-N
XLogP2.04
TPSA86.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[2-[2-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]-1H-imidazol-5-yl]ethyl]-1H-imidazole?
The IUPAC name of 2-methyl-5-[2-[2-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]-1H-imidazol-5-yl]ethyl]-1H-imidazole (CID 91053214) is 2-methyl-5-[2-[2-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]-1H-imidazol-5-yl]ethyl]-1H-imidazole.
What is the SMILES notation for 2-methyl-5-[2-[2-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]-1H-imidazol-5-yl]ethyl]-1H-imidazole?
The canonical SMILES for 2-methyl-5-[2-[2-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]-1H-imidazol-5-yl]ethyl]-1H-imidazole is Cc1cc(CCc2ncc(CCc3cnc(C)[nH]3)[nH]2)n[nH]1.
What is the InChIKey of 2-methyl-5-[2-[2-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]-1H-imidazol-5-yl]ethyl]-1H-imidazole?
The InChIKey is SJTIWMISUNWSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6/c1-10-7-12(21-20-10)5-6-15-17-9-14(19-15)4-3-13-8-16-11(2)18-13/h7-9H,3-6H2,1-2H3,(H,16,18)(H,17,19)(H,20,21).
What are the key properties of 2-methyl-5-[2-[2-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]-1H-imidazol-5-yl]ethyl]-1H-imidazole?
2-methyl-5-[2-[2-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]-1H-imidazol-5-yl]ethyl]-1H-imidazole has a molecular weight of 284.37 g/mol, XLogP of 2.04, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[2-[2-[2-(5-methyl-1H-pyrazol-3-yl)ethyl]-1H-imidazol-5-yl]ethyl]-1H-imidazole is sourced from PubChem (CID 91053214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).