5-(2-butylhexyl)-2-methyl-1H-imidazole

C14H26N2 — CID 166754132

IUPAC5-(2-butylhexyl)-2-methyl-1H-imidazole
SMILESCCCCC(CCCC)Cc1cnc(C)[nH]1
InChIInChI=1S/C14H26N2/c1-4-6-8-13(9-7-5-2)10-14-11-15-12(3)16-14/h11,13H,4-10H2,1-3H3,(H,15,16)
InChIKeyWBBBUSGZXAQVFU-UHFFFAOYSA-N
MW222.38 g/mol
LogP4.26
Rot. Bonds8

About 5-(2-butylhexyl)-2-methyl-1H-imidazole

5-(2-butylhexyl)-2-methyl-1H-imidazole (PubChem CID 166754132) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 5-(2-butylhexyl)-2-methyl-1H-imidazole.

Molecular Properties

Compound Name5-(2-butylhexyl)-2-methyl-1H-imidazole
PubChem CID166754132
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name5-(2-butylhexyl)-2-methyl-1H-imidazole
SMILESCCCCC(CCCC)Cc1cnc(C)[nH]1
InChIInChI=1S/C14H26N2/c1-4-6-8-13(9-7-5-2)10-14-11-15-12(3)16-14/h11,13H,4-10H2,1-3H3,(H,15,16)
InChIKeyWBBBUSGZXAQVFU-UHFFFAOYSA-N
XLogP4.26
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(2-butylhexyl)-2-methyl-1H-imidazole?
The IUPAC name of 5-(2-butylhexyl)-2-methyl-1H-imidazole (CID 166754132) is 5-(2-butylhexyl)-2-methyl-1H-imidazole.
What is the SMILES notation for 5-(2-butylhexyl)-2-methyl-1H-imidazole?
The canonical SMILES for 5-(2-butylhexyl)-2-methyl-1H-imidazole is CCCCC(CCCC)Cc1cnc(C)[nH]1.
What is the InChIKey of 5-(2-butylhexyl)-2-methyl-1H-imidazole?
The InChIKey is WBBBUSGZXAQVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-4-6-8-13(9-7-5-2)10-14-11-15-12(3)16-14/h11,13H,4-10H2,1-3H3,(H,15,16).
What are the key properties of 5-(2-butylhexyl)-2-methyl-1H-imidazole?
5-(2-butylhexyl)-2-methyl-1H-imidazole has a molecular weight of 222.38 g/mol, XLogP of 4.26, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-butylhexyl)-2-methyl-1H-imidazole is sourced from PubChem (CID 166754132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).