tert-butyl N-[2-[3-(1-pyridin-2-ylethyl)imidazol-4-yl]ethyl]carbamate

C17H24N4O2 — CID 104952089

IUPACtert-butyl N-[2-[3-(1-pyridin-2-ylethyl)imidazol-4-yl]ethyl]carbamate
SMILESCC(c1ccccn1)n1cncc1CCNC(=O)OC(C)(C)C
InChIInChI=1S/C17H24N4O2/c1-13(15-7-5-6-9-19-15)21-12-18-11-14(21)8-10-20-16(22)23-17(2,3)4/h5-7,9,11-13H,8,10H2,1-4H3,(H,20,22)
InChIKeyRMKDPZIWEXXZAE-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.95
Rot. Bonds5

About tert-butyl N-[2-[3-(1-pyridin-2-ylethyl)imidazol-4-yl]ethyl]carbamate

tert-butyl N-[2-[3-(1-pyridin-2-ylethyl)imidazol-4-yl]ethyl]carbamate (PubChem CID 104952089) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is tert-butyl N-[2-[3-(1-pyridin-2-ylethyl)imidazol-4-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[3-(1-pyridin-2-ylethyl)imidazol-4-yl]ethyl]carbamate
PubChem CID104952089
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Nametert-butyl N-[2-[3-(1-pyridin-2-ylethyl)imidazol-4-yl]ethyl]carbamate
SMILESCC(c1ccccn1)n1cncc1CCNC(=O)OC(C)(C)C
InChIInChI=1S/C17H24N4O2/c1-13(15-7-5-6-9-19-15)21-12-18-11-14(21)8-10-20-16(22)23-17(2,3)4/h5-7,9,11-13H,8,10H2,1-4H3,(H,20,22)
InChIKeyRMKDPZIWEXXZAE-UHFFFAOYSA-N
XLogP2.95
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2-(3-pentan-3-ylimidazol-4-yl)ethyl]carbamate
CID 114717278
ethyl 2-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]imidazol-1-yl]propanoate
CID 104952130
tert-butyl N-[2-[3-[1-(dimethylamino)-1-oxopropan-2-yl]imidazol-4-yl]ethyl]carbamate
CID 104952166
tert-butyl N-[2-[3-(1-cyclobutylethyl)imidazol-4-yl]ethyl]carbamate
CID 114722724
tert-butyl N-[(3-butan-2-ylimidazol-4-yl)methyl]carbamate
CID 114703505
tert-butyl N-[2-[3-(pyridin-3-ylmethyl)imidazol-4-yl]ethyl]carbamate
CID 104952077
tert-butyl N-[2-[3-(2-propan-2-yloxyethyl)imidazol-4-yl]ethyl]carbamate
CID 114722443
tert-butyl N-[[3-(4-methylhexan-2-yl)imidazol-4-yl]methyl]carbamate
CID 114706289
tert-butyl N-[2-[3-(2-methyl-3-methylsulfanylpropyl)imidazol-4-yl]ethyl]carbamate
CID 114720434
tert-butyl N-[2-(3-methyl-1,4-dioxonaphthalen-2-yl)ethyl]carbamate
CID 10852825
tert-butyl N-(2-pyrimidin-2-ylethyl)carbamate
CID 96537570
tert-butyl N-[[3-(1-methylsulfanylpropan-2-yl)imidazol-4-yl]methyl]carbamate
CID 114707619

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[3-(1-pyridin-2-ylethyl)imidazol-4-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[3-(1-pyridin-2-ylethyl)imidazol-4-yl]ethyl]carbamate (CID 104952089) is tert-butyl N-[2-[3-(1-pyridin-2-ylethyl)imidazol-4-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[3-(1-pyridin-2-ylethyl)imidazol-4-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[3-(1-pyridin-2-ylethyl)imidazol-4-yl]ethyl]carbamate is CC(c1ccccn1)n1cncc1CCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[3-(1-pyridin-2-ylethyl)imidazol-4-yl]ethyl]carbamate?
The InChIKey is RMKDPZIWEXXZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-13(15-7-5-6-9-19-15)21-12-18-11-14(21)8-10-20-16(22)23-17(2,3)4/h5-7,9,11-13H,8,10H2,1-4H3,(H,20,22).
What are the key properties of tert-butyl N-[2-[3-(1-pyridin-2-ylethyl)imidazol-4-yl]ethyl]carbamate?
tert-butyl N-[2-[3-(1-pyridin-2-ylethyl)imidazol-4-yl]ethyl]carbamate has a molecular weight of 316.40 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[3-(1-pyridin-2-ylethyl)imidazol-4-yl]ethyl]carbamate is sourced from PubChem (CID 104952089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).