tert-butyl N-[(Z)-1-[1-[4-(methoxycarbonylamino)phenyl]imidazol-2-yl]-2-phenylethenyl]carbamate

C24H26N4O4 — CID 145032515

IUPACtert-butyl N-[(Z)-1-[1-[4-(methoxycarbonylamino)phenyl]imidazol-2-yl]-2-phenylethenyl]carbamate
SMILESCOC(=O)Nc1ccc(-n2ccnc2/C(=C/c2ccccc2)NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C24H26N4O4/c1-24(2,3)32-23(30)27-20(16-17-8-6-5-7-9-17)21-25-14-15-28(21)19-12-10-18(11-13-19)26-22(29)31-4/h5-16H,1-4H3,(H,26,29)(H,27,30)/b20-16-
InChIKeyXSAVWQIZKQWBRI-SILNSSARSA-N
MW434.50 g/mol
LogP5.07
Rot. Bonds5

About tert-butyl N-[(Z)-1-[1-[4-(methoxycarbonylamino)phenyl]imidazol-2-yl]-2-phenylethenyl]carbamate

tert-butyl N-[(Z)-1-[1-[4-(methoxycarbonylamino)phenyl]imidazol-2-yl]-2-phenylethenyl]carbamate (PubChem CID 145032515) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is tert-butyl N-[(Z)-1-[1-[4-(methoxycarbonylamino)phenyl]imidazol-2-yl]-2-phenylethenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(Z)-1-[1-[4-(methoxycarbonylamino)phenyl]imidazol-2-yl]-2-phenylethenyl]carbamate
PubChem CID145032515
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC Nametert-butyl N-[(Z)-1-[1-[4-(methoxycarbonylamino)phenyl]imidazol-2-yl]-2-phenylethenyl]carbamate
SMILESCOC(=O)Nc1ccc(-n2ccnc2/C(=C/c2ccccc2)NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C24H26N4O4/c1-24(2,3)32-23(30)27-20(16-17-8-6-5-7-9-17)21-25-14-15-28(21)19-12-10-18(11-13-19)26-22(29)31-4/h5-16H,1-4H3,(H,26,29)(H,27,30)/b20-16-
InChIKeyXSAVWQIZKQWBRI-SILNSSARSA-N
XLogP5.07
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.50
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[1-(5-bromo-1H-imidazol-2-yl)-2-phenylethenyl]carbamate
CID 174518878
5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylethenyl]-1,2,4-oxadiazole-3-carboxylic acid
CID 174392172
tert-butyl N-[4-(triazol-1-yl)phenyl]carbamate
CID 67962185
tert-butyl (2R,3R)-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-2-[2-oxo-2-(1-phenylimidazol-2-yl)ethyl]butanoate
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CID 112984580
methyl N-(4-pyrrol-1-ylphenyl)carbamate
CID 110726346
tert-butyl N-phenylcarbamate;ethane;molecular hydrogen
CID 143200199
tert-butyl N-imidazo[1,2-a]pyridin-6-ylcarbamate
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tert-butyl N-[(Z)-1,3-diphenylprop-1-en-2-yl]carbamate
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tert-butyl N-(3-phenylprop-2-enoyl)carbamate
CID 123902044
4-[[3-(3-bromophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-enoyl]amino]benzoic acid
CID 175509776

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(Z)-1-[1-[4-(methoxycarbonylamino)phenyl]imidazol-2-yl]-2-phenylethenyl]carbamate?
The IUPAC name of tert-butyl N-[(Z)-1-[1-[4-(methoxycarbonylamino)phenyl]imidazol-2-yl]-2-phenylethenyl]carbamate (CID 145032515) is tert-butyl N-[(Z)-1-[1-[4-(methoxycarbonylamino)phenyl]imidazol-2-yl]-2-phenylethenyl]carbamate.
What is the SMILES notation for tert-butyl N-[(Z)-1-[1-[4-(methoxycarbonylamino)phenyl]imidazol-2-yl]-2-phenylethenyl]carbamate?
The canonical SMILES for tert-butyl N-[(Z)-1-[1-[4-(methoxycarbonylamino)phenyl]imidazol-2-yl]-2-phenylethenyl]carbamate is COC(=O)Nc1ccc(-n2ccnc2/C(=C/c2ccccc2)NC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[(Z)-1-[1-[4-(methoxycarbonylamino)phenyl]imidazol-2-yl]-2-phenylethenyl]carbamate?
The InChIKey is XSAVWQIZKQWBRI-SILNSSARSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-24(2,3)32-23(30)27-20(16-17-8-6-5-7-9-17)21-25-14-15-28(21)19-12-10-18(11-13-19)26-22(29)31-4/h5-16H,1-4H3,(H,26,29)(H,27,30)/b20-16-.
What are the key properties of tert-butyl N-[(Z)-1-[1-[4-(methoxycarbonylamino)phenyl]imidazol-2-yl]-2-phenylethenyl]carbamate?
tert-butyl N-[(Z)-1-[1-[4-(methoxycarbonylamino)phenyl]imidazol-2-yl]-2-phenylethenyl]carbamate has a molecular weight of 434.50 g/mol, XLogP of 5.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(Z)-1-[1-[4-(methoxycarbonylamino)phenyl]imidazol-2-yl]-2-phenylethenyl]carbamate is sourced from PubChem (CID 145032515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).