1-butyl-3-(2-methylpropyl)-2H-imidazole

C11H22N2 — CID 68780310

IUPAC1-butyl-3-(2-methylpropyl)-2H-imidazole
SMILESCCCCN1C=CN(CC(C)C)C1
InChIInChI=1S/C11H22N2/c1-4-5-6-12-7-8-13(10-12)9-11(2)3/h7-8,11H,4-6,9-10H2,1-3H3
InChIKeyNSEIQISDJQOXGH-UHFFFAOYSA-N
MW182.31 g/mol
LogP2.49
Rot. Bonds5

About 1-butyl-3-(2-methylpropyl)-2H-imidazole

1-butyl-3-(2-methylpropyl)-2H-imidazole (PubChem CID 68780310) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 1-butyl-3-(2-methylpropyl)-2H-imidazole.

Molecular Properties

Compound Name1-butyl-3-(2-methylpropyl)-2H-imidazole
PubChem CID68780310
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name1-butyl-3-(2-methylpropyl)-2H-imidazole
SMILESCCCCN1C=CN(CC(C)C)C1
InChIInChI=1S/C11H22N2/c1-4-5-6-12-7-8-13(10-12)9-11(2)3/h7-8,11H,4-6,9-10H2,1-3H3
InChIKeyNSEIQISDJQOXGH-UHFFFAOYSA-N
XLogP2.49
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Butyl-3-methylimidazolium Bromide
CID 25153273
1-Hexyl-3-methylimidazole
CID 18513318
1-Butyl-3-methyl-2,3-dihydro-1H-imidazole
CID 10265934
1-Pentyl-3-methylimidazole
CID 19604648
1-Propyl-3-methylimidazole
CID 21917382
2,3-Dimethyl-1-butylimidazole
CID 2782664
1,3-Di-tert-butyl-2,3-dihydro-1H-imidazole
CID 10110535
CID 15533103
CID 15533103
1,2-Dimethyl-3-propylimidazole
CID 19358758
1,3-dipropyl-2H-imidazole
CID 19800562
1,3-dibutyl-2H-imidazole
CID 21458258
Ethyl 1-ethyl-3-methylimidazole
CID 21869089

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(2-methylpropyl)-2H-imidazole?
The IUPAC name of 1-butyl-3-(2-methylpropyl)-2H-imidazole (CID 68780310) is 1-butyl-3-(2-methylpropyl)-2H-imidazole.
What is the SMILES notation for 1-butyl-3-(2-methylpropyl)-2H-imidazole?
The canonical SMILES for 1-butyl-3-(2-methylpropyl)-2H-imidazole is CCCCN1C=CN(CC(C)C)C1.
What is the InChIKey of 1-butyl-3-(2-methylpropyl)-2H-imidazole?
The InChIKey is NSEIQISDJQOXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-4-5-6-12-7-8-13(10-12)9-11(2)3/h7-8,11H,4-6,9-10H2,1-3H3.
What are the key properties of 1-butyl-3-(2-methylpropyl)-2H-imidazole?
1-butyl-3-(2-methylpropyl)-2H-imidazole has a molecular weight of 182.31 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(2-methylpropyl)-2H-imidazole is sourced from PubChem (CID 68780310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).