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

C9H18N2 — CID 162769979

IUPAC3-(4-methylpentyl)-1,2-dihydroimidazole
SMILESCC(C)CCCN1C=CNC1
InChIInChI=1S/C9H18N2/c1-9(2)4-3-6-11-7-5-10-8-11/h5,7,9-10H,3-4,6,8H2,1-2H3
InChIKeyCWJPHJUJMORYPZ-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.76
Rot. Bonds4

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

3-(4-methylpentyl)-1,2-dihydroimidazole (PubChem CID 162769979) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 3-(4-methylpentyl)-1,2-dihydroimidazole.

Molecular Properties

Compound Name3-(4-methylpentyl)-1,2-dihydroimidazole
PubChem CID162769979
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name3-(4-methylpentyl)-1,2-dihydroimidazole
SMILESCC(C)CCCN1C=CNC1
InChIInChI=1S/C9H18N2/c1-9(2)4-3-6-11-7-5-10-8-11/h5,7,9-10H,3-4,6,8H2,1-2H3
InChIKeyCWJPHJUJMORYPZ-UHFFFAOYSA-N
XLogP1.76
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methyl-3-pentyl-2,3-dihydro-1H-imidazol-1-ium bromide
CID 71361025
1-N'-(4-methylpentyl)ethene-1,1-diamine
CID 18722196
3-Pentyl-1,2-dihydroimidazole
CID 21479082
3-Hexyl-1,2-dihydroimidazole
CID 21479128
3-(Cyclopentylmethyl)-1,2-dihydroimidazole
CID 59091162
1-Methyl-3-pentyl-1,2-dihydroimidazol-1-ium chloride
CID 67523317
2-iodo-1-methyl-3-(4-methylpentyl)-2H-imidazole
CID 68984087
3-(3-Methylbutyl)-1,2-dihydroimidazole
CID 69984701
1,3-bis(4-methylpentyl)-2H-imidazole
CID 71072171
1-Methyl-3-(2-methylpropyl)-1,2-dihydroimidazol-1-ium bromide
CID 85787203
1-methyl-3-(4-methylpentyl)-2H-imidazole
CID 86063242
1-methyl-3-(4-methylhexyl)-2H-imidazole
CID 89192629

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpentyl)-1,2-dihydroimidazole?
The IUPAC name of 3-(4-methylpentyl)-1,2-dihydroimidazole (CID 162769979) is 3-(4-methylpentyl)-1,2-dihydroimidazole.
What is the SMILES notation for 3-(4-methylpentyl)-1,2-dihydroimidazole?
The canonical SMILES for 3-(4-methylpentyl)-1,2-dihydroimidazole is CC(C)CCCN1C=CNC1.
What is the InChIKey of 3-(4-methylpentyl)-1,2-dihydroimidazole?
The InChIKey is CWJPHJUJMORYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-9(2)4-3-6-11-7-5-10-8-11/h5,7,9-10H,3-4,6,8H2,1-2H3.
What are the key properties of 3-(4-methylpentyl)-1,2-dihydroimidazole?
3-(4-methylpentyl)-1,2-dihydroimidazole has a molecular weight of 154.26 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpentyl)-1,2-dihydroimidazole is sourced from PubChem (CID 162769979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).