3-[2-tert-butyl-1-(cyclohexylmethyl)imidazol-4-yl]pyridine

C19H27N3 — CID 67453486

IUPAC3-[2-tert-butyl-1-(cyclohexylmethyl)imidazol-4-yl]pyridine
SMILESCC(C)(C)c1nc(-c2cccnc2)cn1CC1CCCCC1
InChIInChI=1S/C19H27N3/c1-19(2,3)18-21-17(16-10-7-11-20-12-16)14-22(18)13-15-8-5-4-6-9-15/h7,10-12,14-15H,4-6,8-9,13H2,1-3H3
InChIKeySGBOFDIEEDFICT-UHFFFAOYSA-N
MW297.45 g/mol
LogP4.82
Rot. Bonds3

About 3-[2-tert-butyl-1-(cyclohexylmethyl)imidazol-4-yl]pyridine

3-[2-tert-butyl-1-(cyclohexylmethyl)imidazol-4-yl]pyridine (PubChem CID 67453486) has the molecular formula C19H27N3 and a molecular weight of 297.45 g/mol. Its IUPAC name is 3-[2-tert-butyl-1-(cyclohexylmethyl)imidazol-4-yl]pyridine.

Molecular Properties

Compound Name3-[2-tert-butyl-1-(cyclohexylmethyl)imidazol-4-yl]pyridine
PubChem CID67453486
Molecular FormulaC19H27N3
Molecular Weight297.45 g/mol
Exact Mass297.22
IUPAC Name3-[2-tert-butyl-1-(cyclohexylmethyl)imidazol-4-yl]pyridine
SMILESCC(C)(C)c1nc(-c2cccnc2)cn1CC1CCCCC1
InChIInChI=1S/C19H27N3/c1-19(2,3)18-21-17(16-10-7-11-20-12-16)14-22(18)13-15-8-5-4-6-9-15/h7,10-12,14-15H,4-6,8-9,13H2,1-3H3
InChIKeySGBOFDIEEDFICT-UHFFFAOYSA-N
XLogP4.82
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.45
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butyl-1-(oxan-4-ylmethyl)-4-thiophen-3-ylimidazole
CID 67456732
3-[1-[1-(cyclohexylmethyl)piperidin-4-yl]triazol-4-yl]pyridine
CID 46994455
4-(2-cyclohexylethyl)-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione
CID 60920970
2-bromo-6-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]pyridine
CID 87407652
3-[[1-(cyclobutylmethyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one
CID 126943238
4-[1-(cyclohexylmethyl)piperidin-4-yl]-2-pyridin-3-yl-1H-pyrimidin-6-one
CID 136673443
8-(cyclohexylmethyl)-4-methyl-2-pyridin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 53193832
2-tert-butyl-4-(3-nitrophenyl)-1-(oxolan-2-ylmethyl)imidazole
CID 67456210
(2-pyridin-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-5-yl)methanol
CID 117155024
8-methyl-2-pyridin-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 117158067
6-[2-tert-butyl-1-(oxan-4-ylmethyl)imidazol-4-yl]-N-(cyclopropylmethyl)-N-methylpyrazine-2-carboxamide
CID 67461504
3-[1-(cyclohexylmethyl)piperidin-4-yl]-6-pyridin-3-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 126913121

Frequently Asked Questions

What is the IUPAC name of 3-[2-tert-butyl-1-(cyclohexylmethyl)imidazol-4-yl]pyridine?
The IUPAC name of 3-[2-tert-butyl-1-(cyclohexylmethyl)imidazol-4-yl]pyridine (CID 67453486) is 3-[2-tert-butyl-1-(cyclohexylmethyl)imidazol-4-yl]pyridine.
What is the SMILES notation for 3-[2-tert-butyl-1-(cyclohexylmethyl)imidazol-4-yl]pyridine?
The canonical SMILES for 3-[2-tert-butyl-1-(cyclohexylmethyl)imidazol-4-yl]pyridine is CC(C)(C)c1nc(-c2cccnc2)cn1CC1CCCCC1.
What is the InChIKey of 3-[2-tert-butyl-1-(cyclohexylmethyl)imidazol-4-yl]pyridine?
The InChIKey is SGBOFDIEEDFICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3/c1-19(2,3)18-21-17(16-10-7-11-20-12-16)14-22(18)13-15-8-5-4-6-9-15/h7,10-12,14-15H,4-6,8-9,13H2,1-3H3.
What are the key properties of 3-[2-tert-butyl-1-(cyclohexylmethyl)imidazol-4-yl]pyridine?
3-[2-tert-butyl-1-(cyclohexylmethyl)imidazol-4-yl]pyridine has a molecular weight of 297.45 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-tert-butyl-1-(cyclohexylmethyl)imidazol-4-yl]pyridine is sourced from PubChem (CID 67453486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).