2-[4-(1H-imidazol-2-yl)butyl]-1H-imidazole

C10H14N4 — CID 68640174

IUPAC2-[4-(1H-imidazol-2-yl)butyl]-1H-imidazole
SMILESc1c[nH]c(CCCCc2ncc[nH]2)n1
InChIInChI=1S/C10H14N4/c1(3-9-11-5-6-12-9)2-4-10-13-7-8-14-10/h5-8H,1-4H2,(H,11,12)(H,13,14)
InChIKeyQAYJGQGJHSQNHI-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.70
Rot. Bonds5

About 2-[4-(1H-imidazol-2-yl)butyl]-1H-imidazole

2-[4-(1H-imidazol-2-yl)butyl]-1H-imidazole (PubChem CID 68640174) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is 2-[4-(1H-imidazol-2-yl)butyl]-1H-imidazole.

Molecular Properties

Compound Name2-[4-(1H-imidazol-2-yl)butyl]-1H-imidazole
PubChem CID68640174
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC Name2-[4-(1H-imidazol-2-yl)butyl]-1H-imidazole
SMILESc1c[nH]c(CCCCc2ncc[nH]2)n1
InChIInChI=1S/C10H14N4/c1(3-9-11-5-6-12-9)2-4-10-13-7-8-14-10/h5-8H,1-4H2,(H,11,12)(H,13,14)
InChIKeyQAYJGQGJHSQNHI-UHFFFAOYSA-N
XLogP1.70
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-imidazol-2-yl)butyl]-1H-imidazole?
The IUPAC name of 2-[4-(1H-imidazol-2-yl)butyl]-1H-imidazole (CID 68640174) is 2-[4-(1H-imidazol-2-yl)butyl]-1H-imidazole.
What is the SMILES notation for 2-[4-(1H-imidazol-2-yl)butyl]-1H-imidazole?
The canonical SMILES for 2-[4-(1H-imidazol-2-yl)butyl]-1H-imidazole is c1c[nH]c(CCCCc2ncc[nH]2)n1.
What is the InChIKey of 2-[4-(1H-imidazol-2-yl)butyl]-1H-imidazole?
The InChIKey is QAYJGQGJHSQNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4/c1(3-9-11-5-6-12-9)2-4-10-13-7-8-14-10/h5-8H,1-4H2,(H,11,12)(H,13,14).
What are the key properties of 2-[4-(1H-imidazol-2-yl)butyl]-1H-imidazole?
2-[4-(1H-imidazol-2-yl)butyl]-1H-imidazole has a molecular weight of 190.25 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-imidazol-2-yl)butyl]-1H-imidazole is sourced from PubChem (CID 68640174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).