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

C20H19N3O2 — CID 92675033

IUPAC(E)-N-[(4-imidazol-1-ylphenyl)methyl]-3-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NCc2ccc(-n3ccnc3)cc2)cc1
InChIInChI=1S/C20H19N3O2/c1-25-19-9-4-16(5-10-19)6-11-20(24)22-14-17-2-7-18(8-3-17)23-13-12-21-15-23/h2-13,15H,14H2,1H3,(H,22,24)/b11-6+
InChIKeyMZVNWEFMVUOQER-IZZDOVSWSA-N
MW333.39 g/mol
LogP3.21
Rot. Bonds6

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

(E)-N-[(4-imidazol-1-ylphenyl)methyl]-3-(4-methoxyphenyl)prop-2-enamide (PubChem CID 92675033) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is (E)-N-[(4-imidazol-1-ylphenyl)methyl]-3-(4-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(4-imidazol-1-ylphenyl)methyl]-3-(4-methoxyphenyl)prop-2-enamide
PubChem CID92675033
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name(E)-N-[(4-imidazol-1-ylphenyl)methyl]-3-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NCc2ccc(-n3ccnc3)cc2)cc1
InChIInChI=1S/C20H19N3O2/c1-25-19-9-4-16(5-10-19)6-11-20(24)22-14-17-2-7-18(8-3-17)23-13-12-21-15-23/h2-13,15H,14H2,1H3,(H,22,24)/b11-6+
InChIKeyMZVNWEFMVUOQER-IZZDOVSWSA-N
XLogP3.21
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.21
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)-3-(4-imidazol-1-ylphenyl)-N-[(6-methoxynaphthalen-2-yl)methyl]prop-2-enamide
CID 41200443
(E)-3-(3,4-dimethoxyphenyl)-N-[(4-imidazol-1-ylphenyl)methyl]prop-2-enamide
CID 92646919
(E)-3-(4-fluorophenyl)-N-[(4-imidazol-1-ylphenyl)methyl]prop-2-enamide
CID 95279011
(E)-3-(4-imidazol-1-ylphenyl)-N-[3-[(4-methoxyphenyl)methoxy]propyl]prop-2-enamide
CID 166187032
4-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]benzamide
CID 31533303
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-bromophenyl)methyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 61400451
(E)-N-[[4-(diethylamino)phenyl]methyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 100509478
N-[(4-methoxyphenyl)methyl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 897847
3-(4-methoxyphenyl)-N-[[3-[[3-(4-methoxyphenyl)prop-2-enoylamino]methyl]phenyl]methyl]prop-2-enamide
CID 1011377
diethyl-[[4-[[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]methyl]phenyl]methyl]azanium
CID 8947680

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(4-imidazol-1-ylphenyl)methyl]-3-(4-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[(4-imidazol-1-ylphenyl)methyl]-3-(4-methoxyphenyl)prop-2-enamide (CID 92675033) is (E)-N-[(4-imidazol-1-ylphenyl)methyl]-3-(4-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[(4-imidazol-1-ylphenyl)methyl]-3-(4-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[(4-imidazol-1-ylphenyl)methyl]-3-(4-methoxyphenyl)prop-2-enamide is COc1ccc(/C=C/C(=O)NCc2ccc(-n3ccnc3)cc2)cc1.
What is the InChIKey of (E)-N-[(4-imidazol-1-ylphenyl)methyl]-3-(4-methoxyphenyl)prop-2-enamide?
The InChIKey is MZVNWEFMVUOQER-IZZDOVSWSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-25-19-9-4-16(5-10-19)6-11-20(24)22-14-17-2-7-18(8-3-17)23-13-12-21-15-23/h2-13,15H,14H2,1H3,(H,22,24)/b11-6+.
What are the key properties of (E)-N-[(4-imidazol-1-ylphenyl)methyl]-3-(4-methoxyphenyl)prop-2-enamide?
(E)-N-[(4-imidazol-1-ylphenyl)methyl]-3-(4-methoxyphenyl)prop-2-enamide has a molecular weight of 333.39 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(4-imidazol-1-ylphenyl)methyl]-3-(4-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 92675033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).