tert-butyl N-[1-[3-(4-hydroxycyclohexyl)imidazol-4-yl]-2-methylpropan-2-yl]carbamate

C18H31N3O3 — CID 112754089

IUPACtert-butyl N-[1-[3-(4-hydroxycyclohexyl)imidazol-4-yl]-2-methylpropan-2-yl]carbamate
SMILESCC(C)(Cc1cncn1C1CCC(O)CC1)NC(=O)OC(C)(C)C
InChIInChI=1S/C18H31N3O3/c1-17(2,3)24-16(23)20-18(4,5)10-14-11-19-12-21(14)13-6-8-15(22)9-7-13/h11-13,15,22H,6-10H2,1-5H3,(H,20,23)
InChIKeyXAJCTPCCSLOAME-UHFFFAOYSA-N
MW337.46 g/mol
LogP3.20
Rot. Bonds4

About tert-butyl N-[1-[3-(4-hydroxycyclohexyl)imidazol-4-yl]-2-methylpropan-2-yl]carbamate

tert-butyl N-[1-[3-(4-hydroxycyclohexyl)imidazol-4-yl]-2-methylpropan-2-yl]carbamate (PubChem CID 112754089) has the molecular formula C18H31N3O3 and a molecular weight of 337.46 g/mol. Its IUPAC name is tert-butyl N-[1-[3-(4-hydroxycyclohexyl)imidazol-4-yl]-2-methylpropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[3-(4-hydroxycyclohexyl)imidazol-4-yl]-2-methylpropan-2-yl]carbamate
PubChem CID112754089
Molecular FormulaC18H31N3O3
Molecular Weight337.46 g/mol
Exact Mass337.24
IUPAC Nametert-butyl N-[1-[3-(4-hydroxycyclohexyl)imidazol-4-yl]-2-methylpropan-2-yl]carbamate
SMILESCC(C)(Cc1cncn1C1CCC(O)CC1)NC(=O)OC(C)(C)C
InChIInChI=1S/C18H31N3O3/c1-17(2,3)24-16(23)20-18(4,5)10-14-11-19-12-21(14)13-6-8-15(22)9-7-13/h11-13,15,22H,6-10H2,1-5H3,(H,20,23)
InChIKeyXAJCTPCCSLOAME-UHFFFAOYSA-N
XLogP3.20
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2-[3-(1,1-dioxothian-4-yl)imidazol-4-yl]ethyl]carbamate
CID 104952098
tert-butyl N-[2-[3-(1-methylpiperidin-4-yl)imidazol-4-yl]ethyl]carbamate
CID 104951999
tert-butyl N-[2-methyl-1-[3-[(3-methylcyclohexyl)methyl]imidazol-4-yl]propan-2-yl]carbamate
CID 112754109
tert-butyl N-[(1R)-1-(3-cyclopropylimidazol-4-yl)ethyl]carbamate
CID 114986138
tert-butyl N-[1-[3-(3-fluoro-4-methylphenyl)imidazol-4-yl]-2-methylpropan-2-yl]carbamate
CID 112754022
tert-butyl N-[2-methyl-1-[3-[(2-methylphenyl)methyl]imidazol-4-yl]propan-2-yl]carbamate
CID 112754038
tert-butyl N-[2-methyl-1-[3-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]propan-2-yl]carbamate
CID 112754046
2-[(3-cyclopropylimidazol-4-yl)methylamino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79790960
tert-butyl N-[1-(3-cyclobutylimidazol-4-yl)-2-hydroxyethyl]carbamate
CID 114705783
tert-butyl N-[[3-(2-methoxycyclopentyl)imidazol-4-yl]methyl]carbamate
CID 114705588
tert-butyl N-[(1R)-1-(3-cyclopentylimidazol-4-yl)ethyl]carbamate
CID 114986145
tert-butyl N-[1-[3-(3-methylcyclopentyl)imidazol-4-yl]ethyl]carbamate
CID 114707734

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[3-(4-hydroxycyclohexyl)imidazol-4-yl]-2-methylpropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[3-(4-hydroxycyclohexyl)imidazol-4-yl]-2-methylpropan-2-yl]carbamate (CID 112754089) is tert-butyl N-[1-[3-(4-hydroxycyclohexyl)imidazol-4-yl]-2-methylpropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[3-(4-hydroxycyclohexyl)imidazol-4-yl]-2-methylpropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[3-(4-hydroxycyclohexyl)imidazol-4-yl]-2-methylpropan-2-yl]carbamate is CC(C)(Cc1cncn1C1CCC(O)CC1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-[3-(4-hydroxycyclohexyl)imidazol-4-yl]-2-methylpropan-2-yl]carbamate?
The InChIKey is XAJCTPCCSLOAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O3/c1-17(2,3)24-16(23)20-18(4,5)10-14-11-19-12-21(14)13-6-8-15(22)9-7-13/h11-13,15,22H,6-10H2,1-5H3,(H,20,23).
What are the key properties of tert-butyl N-[1-[3-(4-hydroxycyclohexyl)imidazol-4-yl]-2-methylpropan-2-yl]carbamate?
tert-butyl N-[1-[3-(4-hydroxycyclohexyl)imidazol-4-yl]-2-methylpropan-2-yl]carbamate has a molecular weight of 337.46 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[3-(4-hydroxycyclohexyl)imidazol-4-yl]-2-methylpropan-2-yl]carbamate is sourced from PubChem (CID 112754089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).