1-butyl-3,4,5-trimethyl-2H-imidazole

C10H20N2 — CID 23065778

IUPAC1-butyl-3,4,5-trimethyl-2H-imidazole
SMILESCCCCN1CN(C)C(C)=C1C
InChIInChI=1S/C10H20N2/c1-5-6-7-12-8-11(4)9(2)10(12)3/h5-8H2,1-4H3
InChIKeyNUERQGVFBSQRBK-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.24
Rot. Bonds3

About 1-butyl-3,4,5-trimethyl-2H-imidazole

1-butyl-3,4,5-trimethyl-2H-imidazole (PubChem CID 23065778) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 1-butyl-3,4,5-trimethyl-2H-imidazole.

Molecular Properties

Compound Name1-butyl-3,4,5-trimethyl-2H-imidazole
PubChem CID23065778
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name1-butyl-3,4,5-trimethyl-2H-imidazole
SMILESCCCCN1CN(C)C(C)=C1C
InChIInChI=1S/C10H20N2/c1-5-6-7-12-8-11(4)9(2)10(12)3/h5-8H2,1-4H3
InChIKeyNUERQGVFBSQRBK-UHFFFAOYSA-N
XLogP2.24
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-3,4,5-trimethyl-2H-imidazole?
The IUPAC name of 1-butyl-3,4,5-trimethyl-2H-imidazole (CID 23065778) is 1-butyl-3,4,5-trimethyl-2H-imidazole.
What is the SMILES notation for 1-butyl-3,4,5-trimethyl-2H-imidazole?
The canonical SMILES for 1-butyl-3,4,5-trimethyl-2H-imidazole is CCCCN1CN(C)C(C)=C1C.
What is the InChIKey of 1-butyl-3,4,5-trimethyl-2H-imidazole?
The InChIKey is NUERQGVFBSQRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-5-6-7-12-8-11(4)9(2)10(12)3/h5-8H2,1-4H3.
What are the key properties of 1-butyl-3,4,5-trimethyl-2H-imidazole?
1-butyl-3,4,5-trimethyl-2H-imidazole has a molecular weight of 168.28 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3,4,5-trimethyl-2H-imidazole is sourced from PubChem (CID 23065778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).