ethane;1-[4-[[4-ethenyl-5-[(Z)-prop-1-enyl]-1H-imidazol-2-yl]amino]phenyl]ethanone

C18H23N3O — CID 143641192

IUPACethane;1-[4-[[4-ethenyl-5-[(Z)-prop-1-enyl]-1H-imidazol-2-yl]amino]phenyl]ethanone
SMILESC=Cc1nc(Nc2ccc(C(C)=O)cc2)[nH]c1/C=C\C.CC
InChIInChI=1S/C16H17N3O.C2H6/c1-4-6-15-14(5-2)18-16(19-15)17-13-9-7-12(8-10-13)11(3)20;1-2/h4-10H,2H2,1,3H3,(H2,17,18,19);1-2H3/b6-4-;
InChIKeyBRFSLXHSIZQLBF-YHSAGPEESA-N
MW297.40 g/mol
LogP5.06
Rot. Bonds5

About ethane;1-[4-[[4-ethenyl-5-[(Z)-prop-1-enyl]-1H-imidazol-2-yl]amino]phenyl]ethanone

ethane;1-[4-[[4-ethenyl-5-[(Z)-prop-1-enyl]-1H-imidazol-2-yl]amino]phenyl]ethanone (PubChem CID 143641192) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is ethane;1-[4-[[4-ethenyl-5-[(Z)-prop-1-enyl]-1H-imidazol-2-yl]amino]phenyl]ethanone.

Molecular Properties

Compound Nameethane;1-[4-[[4-ethenyl-5-[(Z)-prop-1-enyl]-1H-imidazol-2-yl]amino]phenyl]ethanone
PubChem CID143641192
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Nameethane;1-[4-[[4-ethenyl-5-[(Z)-prop-1-enyl]-1H-imidazol-2-yl]amino]phenyl]ethanone
SMILESC=Cc1nc(Nc2ccc(C(C)=O)cc2)[nH]c1/C=C\C.CC
InChIInChI=1S/C16H17N3O.C2H6/c1-4-6-15-14(5-2)18-16(19-15)17-13-9-7-12(8-10-13)11(3)20;1-2/h4-10H,2H2,1,3H3,(H2,17,18,19);1-2H3/b6-4-;
InChIKeyBRFSLXHSIZQLBF-YHSAGPEESA-N
XLogP5.06
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.40
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[[4-ethenyl-5-[(Z)-prop-1-enyl]-1H-imidazol-2-yl]amino]phenyl]acetamide
CID 143641177
1-[4-(1H-imidazo[4,5-b]quinoxalin-2-ylamino)phenyl]ethanone
CID 21044764
ethane;(NE)-N-[1-[4-ethenyl-5-[(Z)-prop-1-enyl]-1H-imidazol-2-yl]prop-2-enylidene]hydroxylamine
CID 143245732
N-methyl-4,5-bis[(Z)-prop-1-enyl]-1H-imidazol-2-amine
CID 166958141
1-[4-ethenyl-3-[(Z)-prop-1-enyl]phenyl]ethanone
CID 143306088
1-[4-(sulfanylamino)phenyl]ethanone
CID 143142211
1-[4-(4-bromoanilino)phenyl]ethanone
CID 11543832
1-[4-(prop-2-enylamino)phenyl]ethanone
CID 21163521
1-[4-[[2-(4-acetylanilino)-5-methylpyrimidin-4-yl]amino]phenyl]ethanone
CID 5271605
1-[4-[(4-ethyl-1,3-thiazol-2-yl)amino]phenyl]ethanone
CID 84570012
1-[4-[[6-(4-acetylanilino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 112866665
1-[4-(but-3-en-2-ylamino)phenyl]ethanone
CID 114468469

Frequently Asked Questions

What is the IUPAC name of ethane;1-[4-[[4-ethenyl-5-[(Z)-prop-1-enyl]-1H-imidazol-2-yl]amino]phenyl]ethanone?
The IUPAC name of ethane;1-[4-[[4-ethenyl-5-[(Z)-prop-1-enyl]-1H-imidazol-2-yl]amino]phenyl]ethanone (CID 143641192) is ethane;1-[4-[[4-ethenyl-5-[(Z)-prop-1-enyl]-1H-imidazol-2-yl]amino]phenyl]ethanone.
What is the SMILES notation for ethane;1-[4-[[4-ethenyl-5-[(Z)-prop-1-enyl]-1H-imidazol-2-yl]amino]phenyl]ethanone?
The canonical SMILES for ethane;1-[4-[[4-ethenyl-5-[(Z)-prop-1-enyl]-1H-imidazol-2-yl]amino]phenyl]ethanone is C=Cc1nc(Nc2ccc(C(C)=O)cc2)[nH]c1/C=C\C.CC.
What is the InChIKey of ethane;1-[4-[[4-ethenyl-5-[(Z)-prop-1-enyl]-1H-imidazol-2-yl]amino]phenyl]ethanone?
The InChIKey is BRFSLXHSIZQLBF-YHSAGPEESA-N. The full InChI is InChI=1S/C16H17N3O.C2H6/c1-4-6-15-14(5-2)18-16(19-15)17-13-9-7-12(8-10-13)11(3)20;1-2/h4-10H,2H2,1,3H3,(H2,17,18,19);1-2H3/b6-4-;.
What are the key properties of ethane;1-[4-[[4-ethenyl-5-[(Z)-prop-1-enyl]-1H-imidazol-2-yl]amino]phenyl]ethanone?
ethane;1-[4-[[4-ethenyl-5-[(Z)-prop-1-enyl]-1H-imidazol-2-yl]amino]phenyl]ethanone has a molecular weight of 297.40 g/mol, XLogP of 5.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[4-[[4-ethenyl-5-[(Z)-prop-1-enyl]-1H-imidazol-2-yl]amino]phenyl]ethanone is sourced from PubChem (CID 143641192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).