(E)-3-(4-imidazol-1-ylphenyl)-N-[(6-methoxynaphthalen-2-yl)methyl]prop-2-enamide

C24H21N3O2 — CID 41200443

IUPAC(E)-3-(4-imidazol-1-ylphenyl)-N-[(6-methoxynaphthalen-2-yl)methyl]prop-2-enamide
SMILESCOc1ccc2cc(CNC(=O)/C=C/c3ccc(-n4ccnc4)cc3)ccc2c1
InChIInChI=1S/C24H21N3O2/c1-29-23-10-7-20-14-19(2-6-21(20)15-23)16-26-24(28)11-5-18-3-8-22(9-4-18)27-13-12-25-17-27/h2-15,17H,16H2,1H3,(H,26,28)/b11-5+
InChIKeyFQWSYXZTLJVCFT-VZUCSPMQSA-N
MW383.45 g/mol
LogP4.36
Rot. Bonds6

About (E)-3-(4-imidazol-1-ylphenyl)-N-[(6-methoxynaphthalen-2-yl)methyl]prop-2-enamide

(E)-3-(4-imidazol-1-ylphenyl)-N-[(6-methoxynaphthalen-2-yl)methyl]prop-2-enamide (PubChem CID 41200443) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is (E)-3-(4-imidazol-1-ylphenyl)-N-[(6-methoxynaphthalen-2-yl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-imidazol-1-ylphenyl)-N-[(6-methoxynaphthalen-2-yl)methyl]prop-2-enamide
PubChem CID41200443
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC Name(E)-3-(4-imidazol-1-ylphenyl)-N-[(6-methoxynaphthalen-2-yl)methyl]prop-2-enamide
SMILESCOc1ccc2cc(CNC(=O)/C=C/c3ccc(-n4ccnc4)cc3)ccc2c1
InChIInChI=1S/C24H21N3O2/c1-29-23-10-7-20-14-19(2-6-21(20)15-23)16-26-24(28)11-5-18-3-8-22(9-4-18)27-13-12-25-17-27/h2-15,17H,16H2,1H3,(H,26,28)/b11-5+
InChIKeyFQWSYXZTLJVCFT-VZUCSPMQSA-N
XLogP4.36
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.36
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

(E)-N-[(4-imidazol-1-ylphenyl)methyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 92675033
(E)-3-(3,4-dimethoxyphenyl)-N-[(4-imidazol-1-ylphenyl)methyl]prop-2-enamide
CID 92646919
(E)-3-(4-imidazol-1-ylphenyl)-N-[3-[(4-methoxyphenyl)methoxy]propyl]prop-2-enamide
CID 166187032
(E)-3-(4-fluorophenyl)-N-[(4-imidazol-1-ylphenyl)methyl]prop-2-enamide
CID 95279011
4-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]benzamide
CID 31533303
3-(4-methoxyphenyl)-N-[[3-[[3-(4-methoxyphenyl)prop-2-enoylamino]methyl]phenyl]methyl]prop-2-enamide
CID 1011377
(E)-N-[(6-methoxynaphthalen-2-yl)methyl]-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide
CID 41287870
(E)-3-(2,4-dimethoxyphenyl)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]prop-2-enamide
CID 60585064
N-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)prop-2-enamide
CID 4103426
3-[(4-imidazol-1-ylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea
CID 86850598
(E)-N-(4-imidazol-1-ylbutyl)-3-(6-methoxynaphthalen-2-yl)prop-2-enamide
CID 166204567
(E)-N-[(4-bromophenyl)methyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 61400451

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-imidazol-1-ylphenyl)-N-[(6-methoxynaphthalen-2-yl)methyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-imidazol-1-ylphenyl)-N-[(6-methoxynaphthalen-2-yl)methyl]prop-2-enamide (CID 41200443) is (E)-3-(4-imidazol-1-ylphenyl)-N-[(6-methoxynaphthalen-2-yl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-imidazol-1-ylphenyl)-N-[(6-methoxynaphthalen-2-yl)methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-imidazol-1-ylphenyl)-N-[(6-methoxynaphthalen-2-yl)methyl]prop-2-enamide is COc1ccc2cc(CNC(=O)/C=C/c3ccc(-n4ccnc4)cc3)ccc2c1.
What is the InChIKey of (E)-3-(4-imidazol-1-ylphenyl)-N-[(6-methoxynaphthalen-2-yl)methyl]prop-2-enamide?
The InChIKey is FQWSYXZTLJVCFT-VZUCSPMQSA-N. The full InChI is InChI=1S/C24H21N3O2/c1-29-23-10-7-20-14-19(2-6-21(20)15-23)16-26-24(28)11-5-18-3-8-22(9-4-18)27-13-12-25-17-27/h2-15,17H,16H2,1H3,(H,26,28)/b11-5+.
What are the key properties of (E)-3-(4-imidazol-1-ylphenyl)-N-[(6-methoxynaphthalen-2-yl)methyl]prop-2-enamide?
(E)-3-(4-imidazol-1-ylphenyl)-N-[(6-methoxynaphthalen-2-yl)methyl]prop-2-enamide has a molecular weight of 383.45 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-imidazol-1-ylphenyl)-N-[(6-methoxynaphthalen-2-yl)methyl]prop-2-enamide is sourced from PubChem (CID 41200443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).