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

C16H18N4O — CID 143641177

IUPAC2-[4-[[4-ethenyl-5-[(Z)-prop-1-enyl]-1H-imidazol-2-yl]amino]phenyl]acetamide
SMILESC=Cc1nc(Nc2ccc(CC(N)=O)cc2)[nH]c1/C=C\C
InChIInChI=1S/C16H18N4O/c1-3-5-14-13(4-2)19-16(20-14)18-12-8-6-11(7-9-12)10-15(17)21/h3-9H,2,10H2,1H3,(H2,17,21)(H2,18,19,20)/b5-3-
InChIKeyJGJIPKNQDPKXSS-HYXAFXHYSA-N
MW282.35 g/mol
LogP2.86
Rot. Bonds6

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

2-[4-[[4-ethenyl-5-[(Z)-prop-1-enyl]-1H-imidazol-2-yl]amino]phenyl]acetamide (PubChem CID 143641177) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-[4-[[4-ethenyl-5-[(Z)-prop-1-enyl]-1H-imidazol-2-yl]amino]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[[4-ethenyl-5-[(Z)-prop-1-enyl]-1H-imidazol-2-yl]amino]phenyl]acetamide
PubChem CID143641177
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name2-[4-[[4-ethenyl-5-[(Z)-prop-1-enyl]-1H-imidazol-2-yl]amino]phenyl]acetamide
SMILESC=Cc1nc(Nc2ccc(CC(N)=O)cc2)[nH]c1/C=C\C
InChIInChI=1S/C16H18N4O/c1-3-5-14-13(4-2)19-16(20-14)18-12-8-6-11(7-9-12)10-15(17)21/h3-9H,2,10H2,1H3,(H2,17,21)(H2,18,19,20)/b5-3-
InChIKeyJGJIPKNQDPKXSS-HYXAFXHYSA-N
XLogP2.86
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-ethenyl-5-[(Z)-prop-1-enyl]-1H-imidazol-2-yl]amino]phenyl]acetamide?
The IUPAC name of 2-[4-[[4-ethenyl-5-[(Z)-prop-1-enyl]-1H-imidazol-2-yl]amino]phenyl]acetamide (CID 143641177) is 2-[4-[[4-ethenyl-5-[(Z)-prop-1-enyl]-1H-imidazol-2-yl]amino]phenyl]acetamide.
What is the SMILES notation for 2-[4-[[4-ethenyl-5-[(Z)-prop-1-enyl]-1H-imidazol-2-yl]amino]phenyl]acetamide?
The canonical SMILES for 2-[4-[[4-ethenyl-5-[(Z)-prop-1-enyl]-1H-imidazol-2-yl]amino]phenyl]acetamide is C=Cc1nc(Nc2ccc(CC(N)=O)cc2)[nH]c1/C=C\C.
What is the InChIKey of 2-[4-[[4-ethenyl-5-[(Z)-prop-1-enyl]-1H-imidazol-2-yl]amino]phenyl]acetamide?
The InChIKey is JGJIPKNQDPKXSS-HYXAFXHYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-3-5-14-13(4-2)19-16(20-14)18-12-8-6-11(7-9-12)10-15(17)21/h3-9H,2,10H2,1H3,(H2,17,21)(H2,18,19,20)/b5-3-.
What are the key properties of 2-[4-[[4-ethenyl-5-[(Z)-prop-1-enyl]-1H-imidazol-2-yl]amino]phenyl]acetamide?
2-[4-[[4-ethenyl-5-[(Z)-prop-1-enyl]-1H-imidazol-2-yl]amino]phenyl]acetamide has a molecular weight of 282.35 g/mol, XLogP of 2.86, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-ethenyl-5-[(Z)-prop-1-enyl]-1H-imidazol-2-yl]amino]phenyl]acetamide is sourced from PubChem (CID 143641177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).