tert-butyl N-[2-[3-(6-methoxy-3-pyridinyl)imidazol-4-yl]ethyl]carbamate

C16H22N4O3 — CID 104952013

IUPACtert-butyl N-[2-[3-(6-methoxy-3-pyridinyl)imidazol-4-yl]ethyl]carbamate
SMILESCOc1ccc(-n2cncc2CCNC(=O)OC(C)(C)C)cn1
InChIInChI=1S/C16H22N4O3/c1-16(2,3)23-15(21)18-8-7-13-9-17-11-20(13)12-5-6-14(22-4)19-10-12/h5-6,9-11H,7-8H2,1-4H3,(H,18,21)
InChIKeyMBRBOSARMUGQNP-UHFFFAOYSA-N
MW318.38 g/mol
LogP2.34
Rot. Bonds5

About tert-butyl N-[2-[3-(6-methoxy-3-pyridinyl)imidazol-4-yl]ethyl]carbamate

tert-butyl N-[2-[3-(6-methoxy-3-pyridinyl)imidazol-4-yl]ethyl]carbamate (PubChem CID 104952013) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is tert-butyl N-[2-[3-(6-methoxy-3-pyridinyl)imidazol-4-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[3-(6-methoxy-3-pyridinyl)imidazol-4-yl]ethyl]carbamate
PubChem CID104952013
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Nametert-butyl N-[2-[3-(6-methoxy-3-pyridinyl)imidazol-4-yl]ethyl]carbamate
SMILESCOc1ccc(-n2cncc2CCNC(=O)OC(C)(C)C)cn1
InChIInChI=1S/C16H22N4O3/c1-16(2,3)23-15(21)18-8-7-13-9-17-11-20(13)12-5-6-14(22-4)19-10-12/h5-6,9-11H,7-8H2,1-4H3,(H,18,21)
InChIKeyMBRBOSARMUGQNP-UHFFFAOYSA-N
XLogP2.34
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[2-[3-(3,4-dimethylphenyl)imidazol-4-yl]ethyl]carbamate
CID 104952049
tert-butyl N-[2-[3-(3-fluoro-4-methylphenyl)imidazol-4-yl]ethyl]carbamate
CID 104952043
tert-butyl N-[2-[3-(3,5-difluorophenyl)imidazol-4-yl]ethyl]carbamate
CID 104952037
tert-butyl N-[2-[3-(2,4-dimethylphenyl)imidazol-4-yl]ethyl]carbamate
CID 104952009
tert-butyl N-[2-(3-pentan-3-ylimidazol-4-yl)ethyl]carbamate
CID 114717278
tert-butyl N-[2-[3-(pyridin-3-ylmethyl)imidazol-4-yl]ethyl]carbamate
CID 104952077
tert-butyl N-[2-(3-prop-2-enylimidazol-4-yl)ethyl]carbamate
CID 102013627
tert-butyl N-[2-[3-(2-methylprop-2-enyl)imidazol-4-yl]ethyl]carbamate
CID 114722685
tert-butyl N-[[4-[1-(6-methoxy-3-pyridinyl)-3-propan-2-ylpyrazol-5-yl]phenyl]methyl]carbamate
CID 91234816
tert-butyl N-[[3-(1H-pyrazol-4-yl)imidazol-4-yl]methyl]carbamate
CID 114704125
ethyl 2-[5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]imidazol-1-yl]propanoate
CID 104952130
tert-butyl N-[2-[3-(1-pyridin-2-ylethyl)imidazol-4-yl]ethyl]carbamate
CID 104952089

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[3-(6-methoxy-3-pyridinyl)imidazol-4-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[3-(6-methoxy-3-pyridinyl)imidazol-4-yl]ethyl]carbamate (CID 104952013) is tert-butyl N-[2-[3-(6-methoxy-3-pyridinyl)imidazol-4-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[3-(6-methoxy-3-pyridinyl)imidazol-4-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[3-(6-methoxy-3-pyridinyl)imidazol-4-yl]ethyl]carbamate is COc1ccc(-n2cncc2CCNC(=O)OC(C)(C)C)cn1.
What is the InChIKey of tert-butyl N-[2-[3-(6-methoxy-3-pyridinyl)imidazol-4-yl]ethyl]carbamate?
The InChIKey is MBRBOSARMUGQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-16(2,3)23-15(21)18-8-7-13-9-17-11-20(13)12-5-6-14(22-4)19-10-12/h5-6,9-11H,7-8H2,1-4H3,(H,18,21).
What are the key properties of tert-butyl N-[2-[3-(6-methoxy-3-pyridinyl)imidazol-4-yl]ethyl]carbamate?
tert-butyl N-[2-[3-(6-methoxy-3-pyridinyl)imidazol-4-yl]ethyl]carbamate has a molecular weight of 318.38 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[3-(6-methoxy-3-pyridinyl)imidazol-4-yl]ethyl]carbamate is sourced from PubChem (CID 104952013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).