1-methyl-3-(4-methylpentyl)-2H-imidazole

C10H20N2 — CID 86063242

IUPAC1-methyl-3-(4-methylpentyl)-2H-imidazole
SMILESCC(C)CCCN1C=CN(C)C1
InChIInChI=1S/C10H20N2/c1-10(2)5-4-6-12-8-7-11(3)9-12/h7-8,10H,4-6,9H2,1-3H3
InChIKeyXMXVHRFHYKZDFB-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.10
Rot. Bonds4

About 1-methyl-3-(4-methylpentyl)-2H-imidazole

1-methyl-3-(4-methylpentyl)-2H-imidazole (PubChem CID 86063242) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 1-methyl-3-(4-methylpentyl)-2H-imidazole.

Molecular Properties

Compound Name1-methyl-3-(4-methylpentyl)-2H-imidazole
PubChem CID86063242
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name1-methyl-3-(4-methylpentyl)-2H-imidazole
SMILESCC(C)CCCN1C=CN(C)C1
InChIInChI=1S/C10H20N2/c1-10(2)5-4-6-12-8-7-11(3)9-12/h7-8,10H,4-6,9H2,1-3H3
InChIKeyXMXVHRFHYKZDFB-UHFFFAOYSA-N
XLogP2.10
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Hexyl-3-methylimidazole
CID 18513318
1-Pentyl-3-methylimidazole
CID 19604648
1-heptyl-3-methyl-2H-imidazole
CID 17865360
1-Hexyl-3-vinylimidazole
CID 56998627
1,3-bis(3-methylbutan-2-yl)-2H-imidazole
CID 91412259
1-ethyl-3-hexyl-2H-imidazole
CID 17865362
1-methyl-3-(2-methylpropyl)-2H-imidazole
CID 21844790
1-methyl-3-(3-methylbutyl)-2H-imidazole
CID 21917385
1,3-dimethyl-2-pentyl-2H-imidazole
CID 22044329
1-hexyl-2,3-dimethyl-2H-imidazole
CID 23083804
2-butyl-1,3-dimethyl-2H-imidazole
CID 23140777
1-hexyl-3-propyl-2H-imidazole
CID 23148559

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(4-methylpentyl)-2H-imidazole?
The IUPAC name of 1-methyl-3-(4-methylpentyl)-2H-imidazole (CID 86063242) is 1-methyl-3-(4-methylpentyl)-2H-imidazole.
What is the SMILES notation for 1-methyl-3-(4-methylpentyl)-2H-imidazole?
The canonical SMILES for 1-methyl-3-(4-methylpentyl)-2H-imidazole is CC(C)CCCN1C=CN(C)C1.
What is the InChIKey of 1-methyl-3-(4-methylpentyl)-2H-imidazole?
The InChIKey is XMXVHRFHYKZDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-10(2)5-4-6-12-8-7-11(3)9-12/h7-8,10H,4-6,9H2,1-3H3.
What are the key properties of 1-methyl-3-(4-methylpentyl)-2H-imidazole?
1-methyl-3-(4-methylpentyl)-2H-imidazole has a molecular weight of 168.28 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(4-methylpentyl)-2H-imidazole is sourced from PubChem (CID 86063242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).