1,3-bis(4-methylpentyl)-2H-imidazole

C15H30N2 — CID 71072171

IUPAC1,3-bis(4-methylpentyl)-2H-imidazole
SMILESCC(C)CCCN1C=CN(CCCC(C)C)C1
InChIInChI=1S/C15H30N2/c1-14(2)7-5-9-16-11-12-17(13-16)10-6-8-15(3)4/h11-12,14-15H,5-10,13H2,1-4H3
InChIKeyZKOJTHBSHMEALM-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.91
Rot. Bonds8

About 1,3-bis(4-methylpentyl)-2H-imidazole

1,3-bis(4-methylpentyl)-2H-imidazole (PubChem CID 71072171) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 1,3-bis(4-methylpentyl)-2H-imidazole.

Molecular Properties

Compound Name1,3-bis(4-methylpentyl)-2H-imidazole
PubChem CID71072171
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name1,3-bis(4-methylpentyl)-2H-imidazole
SMILESCC(C)CCCN1C=CN(CCCC(C)C)C1
InChIInChI=1S/C15H30N2/c1-14(2)7-5-9-16-11-12-17(13-16)10-6-8-15(3)4/h11-12,14-15H,5-10,13H2,1-4H3
InChIKeyZKOJTHBSHMEALM-UHFFFAOYSA-N
XLogP3.91
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.91
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 1,3-bis(4-methylpentyl)-2H-imidazole?
The IUPAC name of 1,3-bis(4-methylpentyl)-2H-imidazole (CID 71072171) is 1,3-bis(4-methylpentyl)-2H-imidazole.
What is the SMILES notation for 1,3-bis(4-methylpentyl)-2H-imidazole?
The canonical SMILES for 1,3-bis(4-methylpentyl)-2H-imidazole is CC(C)CCCN1C=CN(CCCC(C)C)C1.
What is the InChIKey of 1,3-bis(4-methylpentyl)-2H-imidazole?
The InChIKey is ZKOJTHBSHMEALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-14(2)7-5-9-16-11-12-17(13-16)10-6-8-15(3)4/h11-12,14-15H,5-10,13H2,1-4H3.
What are the key properties of 1,3-bis(4-methylpentyl)-2H-imidazole?
1,3-bis(4-methylpentyl)-2H-imidazole has a molecular weight of 238.42 g/mol, XLogP of 3.91, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(4-methylpentyl)-2H-imidazole is sourced from PubChem (CID 71072171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).