3-(3-cyano-4-imidazol-1-ylphenyl)-N-(2,3-dihydro-1H-inden-1-yl)prop-2-enamide

C22H18N4O — CID 66960991

IUPAC3-(3-cyano-4-imidazol-1-ylphenyl)-N-(2,3-dihydro-1H-inden-1-yl)prop-2-enamide
SMILESN#Cc1cc(C=CC(=O)NC2CCc3ccccc32)ccc1-n1ccnc1
InChIInChI=1S/C22H18N4O/c23-14-18-13-16(5-9-21(18)26-12-11-24-15-26)6-10-22(27)25-20-8-7-17-3-1-2-4-19(17)20/h1-6,9-13,15,20H,7-8H2,(H,25,27)
InChIKeyUZPWGDNKQNXHFH-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.56
Rot. Bonds4

About 3-(3-cyano-4-imidazol-1-ylphenyl)-N-(2,3-dihydro-1H-inden-1-yl)prop-2-enamide

3-(3-cyano-4-imidazol-1-ylphenyl)-N-(2,3-dihydro-1H-inden-1-yl)prop-2-enamide (PubChem CID 66960991) has the molecular formula C22H18N4O and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-(3-cyano-4-imidazol-1-ylphenyl)-N-(2,3-dihydro-1H-inden-1-yl)prop-2-enamide.

Molecular Properties

Compound Name3-(3-cyano-4-imidazol-1-ylphenyl)-N-(2,3-dihydro-1H-inden-1-yl)prop-2-enamide
PubChem CID66960991
Molecular FormulaC22H18N4O
Molecular Weight354.41 g/mol
Exact Mass354.15
IUPAC Name3-(3-cyano-4-imidazol-1-ylphenyl)-N-(2,3-dihydro-1H-inden-1-yl)prop-2-enamide
SMILESN#Cc1cc(C=CC(=O)NC2CCc3ccccc32)ccc1-n1ccnc1
InChIInChI=1S/C22H18N4O/c23-14-18-13-16(5-9-21(18)26-12-11-24-15-26)6-10-22(27)25-20-8-7-17-3-1-2-4-19(17)20/h1-6,9-13,15,20H,7-8H2,(H,25,27)
InChIKeyUZPWGDNKQNXHFH-UHFFFAOYSA-N
XLogP3.56
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(5-bromo-2-imidazol-1-ylphenyl)-N-(2,3-dihydro-1H-inden-1-yl)prop-2-enamide
CID 66960965
(E)-N-(2,3-dihydro-1H-inden-1-yl)-3-(4-imidazol-1-yl-2-methoxyphenyl)prop-2-enamide
CID 59170828
(E)-3-[3-but-2-ynoxy-4-(4-methylimidazol-1-yl)phenyl]-N-(2,3-dihydro-1H-inden-1-yl)prop-2-enamide
CID 59170730
(E)-N-(2,3-dihydro-1H-inden-1-yl)-3-[4-[4-(fluoromethyl)imidazol-1-yl]-3-methoxyphenyl]prop-2-enamide
CID 59170993
(E)-N-(2,3-dihydro-1H-inden-1-yl)-3-[4-(4-methylimidazol-1-yl)-3-propoxyphenyl]prop-2-enamide
CID 88997184
4-imidazol-1-yl-3-nitro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 5000431
(2E,4E)-6-cyano-N-(2,3-dihydro-1H-inden-1-yl)-8-imidazol-1-yl-4-methyldeca-2,4,6,9-tetraenamide;ethane
CID 143143723
(E)-N-(2,3-dihydro-1H-inden-1-yl)-3-(3-methoxyphenyl)prop-2-enamide
CID 51281195
(E)-N-(2,3-dihydro-1H-inden-1-yl)-3-[4-(methanesulfonamido)phenyl]prop-2-enamide
CID 51334157
N-(2,3-dihydro-1H-inden-1-yl)-3-(3-methyl-2H-indazol-6-yl)prop-2-enamide
CID 175884330
(E)-N-(2,3-dihydro-1H-inden-1-yl)-3-[3-fluoro-5-methyl-4-(4-methylimidazol-1-yl)phenyl]prop-2-enamide
CID 58223127
(E)-N-(2,3-dihydro-1H-inden-1-yl)-3-[6-methyl-5-(4-methylimidazol-1-yl)-2-pyridinyl]prop-2-enamide
CID 58223153

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyano-4-imidazol-1-ylphenyl)-N-(2,3-dihydro-1H-inden-1-yl)prop-2-enamide?
The IUPAC name of 3-(3-cyano-4-imidazol-1-ylphenyl)-N-(2,3-dihydro-1H-inden-1-yl)prop-2-enamide (CID 66960991) is 3-(3-cyano-4-imidazol-1-ylphenyl)-N-(2,3-dihydro-1H-inden-1-yl)prop-2-enamide.
What is the SMILES notation for 3-(3-cyano-4-imidazol-1-ylphenyl)-N-(2,3-dihydro-1H-inden-1-yl)prop-2-enamide?
The canonical SMILES for 3-(3-cyano-4-imidazol-1-ylphenyl)-N-(2,3-dihydro-1H-inden-1-yl)prop-2-enamide is N#Cc1cc(C=CC(=O)NC2CCc3ccccc32)ccc1-n1ccnc1.
What is the InChIKey of 3-(3-cyano-4-imidazol-1-ylphenyl)-N-(2,3-dihydro-1H-inden-1-yl)prop-2-enamide?
The InChIKey is UZPWGDNKQNXHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O/c23-14-18-13-16(5-9-21(18)26-12-11-24-15-26)6-10-22(27)25-20-8-7-17-3-1-2-4-19(17)20/h1-6,9-13,15,20H,7-8H2,(H,25,27).
What are the key properties of 3-(3-cyano-4-imidazol-1-ylphenyl)-N-(2,3-dihydro-1H-inden-1-yl)prop-2-enamide?
3-(3-cyano-4-imidazol-1-ylphenyl)-N-(2,3-dihydro-1H-inden-1-yl)prop-2-enamide has a molecular weight of 354.41 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyano-4-imidazol-1-ylphenyl)-N-(2,3-dihydro-1H-inden-1-yl)prop-2-enamide is sourced from PubChem (CID 66960991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).