3-(4-methylhexyl)-1,2-dihydroimidazole

C10H20N2 — CID 90687471

IUPAC3-(4-methylhexyl)-1,2-dihydroimidazole
SMILESCCC(C)CCCN1C=CNC1
InChIInChI=1S/C10H20N2/c1-3-10(2)5-4-7-12-8-6-11-9-12/h6,8,10-11H,3-5,7,9H2,1-2H3
InChIKeyRMULZFCWOZUPPM-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.15
Rot. Bonds5

About 3-(4-methylhexyl)-1,2-dihydroimidazole

3-(4-methylhexyl)-1,2-dihydroimidazole (PubChem CID 90687471) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 3-(4-methylhexyl)-1,2-dihydroimidazole.

Molecular Properties

Compound Name3-(4-methylhexyl)-1,2-dihydroimidazole
PubChem CID90687471
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name3-(4-methylhexyl)-1,2-dihydroimidazole
SMILESCCC(C)CCCN1C=CNC1
InChIInChI=1S/C10H20N2/c1-3-10(2)5-4-7-12-8-6-11-9-12/h6,8,10-11H,3-5,7,9H2,1-2H3
InChIKeyRMULZFCWOZUPPM-UHFFFAOYSA-N
XLogP2.15
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1H-Imidazolium, 1-hexyl-3-methyl-, chloride
CID 67523375
3-Octyl-1,2-dihydroimidazole
CID 19864128
3-Pentyl-1,2-dihydroimidazole
CID 21479082
3-Hexyl-1,2-dihydroimidazole
CID 21479128
3-Decyl-1,2-dihydroimidazole
CID 23187945
1-(cyclohexylmethyl)-3-methyl-2H-imidazole
CID 46237237
1H-Imidazolium, 1-hexyl-3-methyl-, iodide
CID 57370684
1-(2-cyclopentylethyl)-3-methyl-2H-imidazole
CID 59091158
3-(Cyclopentylmethyl)-1,2-dihydroimidazole
CID 59091162
1-Ethyl-3-hexyl-1,2-dihydroimidazol-1-ium bromide
CID 67523423
1H-Imidazolium, 1-hexyl-3-methyl-, bromide
CID 67523442
3-Dodecyl-1,2-dihydroimidazole
CID 69571403

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylhexyl)-1,2-dihydroimidazole?
The IUPAC name of 3-(4-methylhexyl)-1,2-dihydroimidazole (CID 90687471) is 3-(4-methylhexyl)-1,2-dihydroimidazole.
What is the SMILES notation for 3-(4-methylhexyl)-1,2-dihydroimidazole?
The canonical SMILES for 3-(4-methylhexyl)-1,2-dihydroimidazole is CCC(C)CCCN1C=CNC1.
What is the InChIKey of 3-(4-methylhexyl)-1,2-dihydroimidazole?
The InChIKey is RMULZFCWOZUPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-3-10(2)5-4-7-12-8-6-11-9-12/h6,8,10-11H,3-5,7,9H2,1-2H3.
What are the key properties of 3-(4-methylhexyl)-1,2-dihydroimidazole?
3-(4-methylhexyl)-1,2-dihydroimidazole has a molecular weight of 168.28 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylhexyl)-1,2-dihydroimidazole is sourced from PubChem (CID 90687471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).