1-butyl-2,4-dimethyl-4,5-dihydroimidazole

C9H18N2 — CID 71402158

IUPAC1-butyl-2,4-dimethyl-4,5-dihydroimidazole
SMILESCCCCN1CC(C)N=C1C
InChIInChI=1S/C9H18N2/c1-4-5-6-11-7-8(2)10-9(11)3/h8H,4-7H2,1-3H3
InChIKeyAZGSJJJMIIWWPI-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.91
Rot. Bonds3

About 1-butyl-2,4-dimethyl-4,5-dihydroimidazole

1-butyl-2,4-dimethyl-4,5-dihydroimidazole (PubChem CID 71402158) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 1-butyl-2,4-dimethyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-butyl-2,4-dimethyl-4,5-dihydroimidazole
PubChem CID71402158
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name1-butyl-2,4-dimethyl-4,5-dihydroimidazole
SMILESCCCCN1CC(C)N=C1C
InChIInChI=1S/C9H18N2/c1-4-5-6-11-7-8(2)10-9(11)3/h8H,4-7H2,1-3H3
InChIKeyAZGSJJJMIIWWPI-UHFFFAOYSA-N
XLogP1.91
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-butyl-4-methyl-4,5-dihydroimidazol-2-amine
CID 45088430
1-butyl-5-methyl-1,3-diazinane-2,4-dione
CID 78199091
1-butyl-3-methyl-2,3-dihydroindole;ethane
CID 143458411
2-ethyl-1-pentyl-4,5-dihydroimidazol-4-amine
CID 174534223
(3R,4R,5R)-1-butyl-3,4,5-trihydroxypiperidin-2-one
CID 101481394
4,10,16,22,25,31-hexabutyl-7,19,28-trioxa-2,4,10,12,14,16,22,24,25,31,32,33-dodecazatetracyclo[11.11.7.13,23.111,15]tritriaconta-1(24),2,11,13,15(33),23(32)-hexaene
CID 12846656
1-heptyl-2-methyl-4,5-dihydroimidazole
CID 15395015
1-butyl-2-oxoimidazolidine-4-carboxylic acid
CID 54048507
1,3-dibutylimidazolidin-2-one
CID 20887
1,4-dibutylpiperazine-2,5-dione
CID 19902955
1-butyl-6-methyl-1,4-diazepan-2-one
CID 83696938
4-butyl-1,2,6-trimethylpiperazine
CID 126991132

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2,4-dimethyl-4,5-dihydroimidazole?
The IUPAC name of 1-butyl-2,4-dimethyl-4,5-dihydroimidazole (CID 71402158) is 1-butyl-2,4-dimethyl-4,5-dihydroimidazole.
What is the SMILES notation for 1-butyl-2,4-dimethyl-4,5-dihydroimidazole?
The canonical SMILES for 1-butyl-2,4-dimethyl-4,5-dihydroimidazole is CCCCN1CC(C)N=C1C.
What is the InChIKey of 1-butyl-2,4-dimethyl-4,5-dihydroimidazole?
The InChIKey is AZGSJJJMIIWWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-4-5-6-11-7-8(2)10-9(11)3/h8H,4-7H2,1-3H3.
What are the key properties of 1-butyl-2,4-dimethyl-4,5-dihydroimidazole?
1-butyl-2,4-dimethyl-4,5-dihydroimidazole has a molecular weight of 154.26 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2,4-dimethyl-4,5-dihydroimidazole is sourced from PubChem (CID 71402158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).