2-[3-(cyclohexylmethyl)-3-methylpentyl]-1H-imidazole

C16H28N2 — CID 70555412

IUPAC2-[3-(cyclohexylmethyl)-3-methylpentyl]-1H-imidazole
SMILESCCC(C)(CCc1ncc[nH]1)CC1CCCCC1
InChIInChI=1S/C16H28N2/c1-3-16(2,10-9-15-17-11-12-18-15)13-14-7-5-4-6-8-14/h11-12,14H,3-10,13H2,1-2H3,(H,17,18)
InChIKeyGIWRCKOVRDAGRZ-UHFFFAOYSA-N
MW248.41 g/mol
LogP4.73
Rot. Bonds6

About 2-[3-(cyclohexylmethyl)-3-methylpentyl]-1H-imidazole

2-[3-(cyclohexylmethyl)-3-methylpentyl]-1H-imidazole (PubChem CID 70555412) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is 2-[3-(cyclohexylmethyl)-3-methylpentyl]-1H-imidazole.

Molecular Properties

Compound Name2-[3-(cyclohexylmethyl)-3-methylpentyl]-1H-imidazole
PubChem CID70555412
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC Name2-[3-(cyclohexylmethyl)-3-methylpentyl]-1H-imidazole
SMILESCCC(C)(CCc1ncc[nH]1)CC1CCCCC1
InChIInChI=1S/C16H28N2/c1-3-16(2,10-9-15-17-11-12-18-15)13-14-7-5-4-6-8-14/h11-12,14H,3-10,13H2,1-2H3,(H,17,18)
InChIKeyGIWRCKOVRDAGRZ-UHFFFAOYSA-N
XLogP4.73
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclohexylmethyl)-3-methylpentyl]-1H-imidazole?
The IUPAC name of 2-[3-(cyclohexylmethyl)-3-methylpentyl]-1H-imidazole (CID 70555412) is 2-[3-(cyclohexylmethyl)-3-methylpentyl]-1H-imidazole.
What is the SMILES notation for 2-[3-(cyclohexylmethyl)-3-methylpentyl]-1H-imidazole?
The canonical SMILES for 2-[3-(cyclohexylmethyl)-3-methylpentyl]-1H-imidazole is CCC(C)(CCc1ncc[nH]1)CC1CCCCC1.
What is the InChIKey of 2-[3-(cyclohexylmethyl)-3-methylpentyl]-1H-imidazole?
The InChIKey is GIWRCKOVRDAGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-3-16(2,10-9-15-17-11-12-18-15)13-14-7-5-4-6-8-14/h11-12,14H,3-10,13H2,1-2H3,(H,17,18).
What are the key properties of 2-[3-(cyclohexylmethyl)-3-methylpentyl]-1H-imidazole?
2-[3-(cyclohexylmethyl)-3-methylpentyl]-1H-imidazole has a molecular weight of 248.41 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclohexylmethyl)-3-methylpentyl]-1H-imidazole is sourced from PubChem (CID 70555412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).