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

C22H21N3O2 — CID 59170828

IUPAC(E)-N-(2,3-dihydro-1H-inden-1-yl)-3-(4-imidazol-1-yl-2-methoxyphenyl)prop-2-enamide
SMILESCOc1cc(-n2ccnc2)ccc1/C=C/C(=O)NC1CCc2ccccc21
InChIInChI=1S/C22H21N3O2/c1-27-21-14-18(25-13-12-23-15-25)9-6-17(21)8-11-22(26)24-20-10-7-16-4-2-3-5-19(16)20/h2-6,8-9,11-15,20H,7,10H2,1H3,(H,24,26)/b11-8+
InChIKeyKYTOOFSMUPKBCL-DHZHZOJOSA-N
MW359.43 g/mol
LogP3.70
Rot. Bonds5

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

(E)-N-(2,3-dihydro-1H-inden-1-yl)-3-(4-imidazol-1-yl-2-methoxyphenyl)prop-2-enamide (PubChem CID 59170828) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is (E)-N-(2,3-dihydro-1H-inden-1-yl)-3-(4-imidazol-1-yl-2-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2,3-dihydro-1H-inden-1-yl)-3-(4-imidazol-1-yl-2-methoxyphenyl)prop-2-enamide
PubChem CID59170828
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name(E)-N-(2,3-dihydro-1H-inden-1-yl)-3-(4-imidazol-1-yl-2-methoxyphenyl)prop-2-enamide
SMILESCOc1cc(-n2ccnc2)ccc1/C=C/C(=O)NC1CCc2ccccc21
InChIInChI=1S/C22H21N3O2/c1-27-21-14-18(25-13-12-23-15-25)9-6-17(21)8-11-22(26)24-20-10-7-16-4-2-3-5-19(16)20/h2-6,8-9,11-15,20H,7,10H2,1H3,(H,24,26)/b11-8+
InChIKeyKYTOOFSMUPKBCL-DHZHZOJOSA-N
XLogP3.70
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-N-(2,3-dihydro-1H-inden-1-yl)-3-(4-imidazol-1-yl-2-methoxyphenyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(5-bromo-2-imidazol-1-ylphenyl)-N-(2,3-dihydro-1H-inden-1-yl)prop-2-enamide
CID 66960965
3-(3-cyano-4-imidazol-1-ylphenyl)-N-(2,3-dihydro-1H-inden-1-yl)prop-2-enamide
CID 66960991
(E)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 30400382
(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-[4-(fluoromethyl)imidazol-1-yl]-3-methoxyphenyl]prop-2-enamide
CID 59170993
(E)-4-(dimethylamino)-N-(2-imidazol-1-yl-1,2,3,4-tetrahydronaphthalen-1-yl)but-2-enamide
CID 146100955
(E)-3-(3-methoxyphenyl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]prop-2-enamide
CID 2710172
(E)-N-(2,3-dihydro-1H-inden-1-yl)-3-[4-(4-methylimidazol-1-yl)-3-propoxyphenyl]prop-2-enamide
CID 88997184
(E)-1-(4-imidazol-1-ylphenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
CID 19569707
(E)-N-(2,3-dihydro-1H-inden-1-yl)-3-[4-(methanesulfonamido)phenyl]prop-2-enamide
CID 51334157
(E)-3-(5-chloro-1H-indazol-6-yl)-N-(2,3-dihydro-1H-inden-1-yl)prop-2-enamide
CID 168865094
N-(2,3-dihydro-1H-inden-1-yl)-3-(3-methyl-2H-indazol-6-yl)prop-2-enamide
CID 175884330

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2,3-dihydro-1H-inden-1-yl)-3-(4-imidazol-1-yl-2-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2,3-dihydro-1H-inden-1-yl)-3-(4-imidazol-1-yl-2-methoxyphenyl)prop-2-enamide (CID 59170828) is (E)-N-(2,3-dihydro-1H-inden-1-yl)-3-(4-imidazol-1-yl-2-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2,3-dihydro-1H-inden-1-yl)-3-(4-imidazol-1-yl-2-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2,3-dihydro-1H-inden-1-yl)-3-(4-imidazol-1-yl-2-methoxyphenyl)prop-2-enamide is COc1cc(-n2ccnc2)ccc1/C=C/C(=O)NC1CCc2ccccc21.
What is the InChIKey of (E)-N-(2,3-dihydro-1H-inden-1-yl)-3-(4-imidazol-1-yl-2-methoxyphenyl)prop-2-enamide?
The InChIKey is KYTOOFSMUPKBCL-DHZHZOJOSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-27-21-14-18(25-13-12-23-15-25)9-6-17(21)8-11-22(26)24-20-10-7-16-4-2-3-5-19(16)20/h2-6,8-9,11-15,20H,7,10H2,1H3,(H,24,26)/b11-8+.
What are the key properties of (E)-N-(2,3-dihydro-1H-inden-1-yl)-3-(4-imidazol-1-yl-2-methoxyphenyl)prop-2-enamide?
(E)-N-(2,3-dihydro-1H-inden-1-yl)-3-(4-imidazol-1-yl-2-methoxyphenyl)prop-2-enamide has a molecular weight of 359.43 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2,3-dihydro-1H-inden-1-yl)-3-(4-imidazol-1-yl-2-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 59170828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).