(E)-3-(2-chlorophenyl)-N-[4-(imidazol-1-ylmethyl)phenyl]prop-2-enamide

C19H16ClN3O — CID 38112276

IUPAC(E)-3-(2-chlorophenyl)-N-[4-(imidazol-1-ylmethyl)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccccc1Cl)Nc1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C19H16ClN3O/c20-18-4-2-1-3-16(18)7-10-19(24)22-17-8-5-15(6-9-17)13-23-12-11-21-14-23/h1-12,14H,13H2,(H,22,24)/b10-7+
InChIKeyOAJHZUJWYMUDBG-JXMROGBWSA-N
MW337.81 g/mol
LogP4.24
Rot. Bonds5

About (E)-3-(2-chlorophenyl)-N-[4-(imidazol-1-ylmethyl)phenyl]prop-2-enamide

(E)-3-(2-chlorophenyl)-N-[4-(imidazol-1-ylmethyl)phenyl]prop-2-enamide (PubChem CID 38112276) has the molecular formula C19H16ClN3O and a molecular weight of 337.81 g/mol. Its IUPAC name is (E)-3-(2-chlorophenyl)-N-[4-(imidazol-1-ylmethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-chlorophenyl)-N-[4-(imidazol-1-ylmethyl)phenyl]prop-2-enamide
PubChem CID38112276
Molecular FormulaC19H16ClN3O
Molecular Weight337.81 g/mol
Exact Mass337.10
IUPAC Name(E)-3-(2-chlorophenyl)-N-[4-(imidazol-1-ylmethyl)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccccc1Cl)Nc1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C19H16ClN3O/c20-18-4-2-1-3-16(18)7-10-19(24)22-17-8-5-15(6-9-17)13-23-12-11-21-14-23/h1-12,14H,13H2,(H,22,24)/b10-7+
InChIKeyOAJHZUJWYMUDBG-JXMROGBWSA-N
XLogP4.24
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-[4-(imidazol-1-ylmethyl)phenyl]-3-phenylprop-2-enamide
CID 69488579
(E)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-naphthalen-1-ylprop-2-enamide
CID 34906993
(E)-3-(2-chlorophenyl)-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]prop-2-enamide
CID 19283652
(E)-3-(2-chlorophenyl)-N-[4-[4-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]phenoxy]phenyl]prop-2-enamide
CID 6242476
(E)-3-(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)-N-[4-(imidazol-1-ylmethyl)phenyl]prop-2-enamide
CID 86977849
(E)-3-(2-chlorophenyl)-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]prop-2-enamide
CID 19409875
(E)-3-(2,3-dichlorophenyl)-N-[2-(2-imidazol-1-ylethoxy)phenyl]prop-2-enamide
CID 47789670
(E)-3-(2-chlorophenyl)-N-(4-piperidin-1-ylphenyl)prop-2-enamide
CID 100508734
3-(2-chlorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide
CID 692551
(E)-3-(2-chlorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide
CID 692552
3-(2-chlorophenyl)-N-(3,5-dichlorophenyl)prop-2-enamide
CID 966103
(E)-3-(2-chlorophenyl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]prop-2-enamide
CID 19406967

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chlorophenyl)-N-[4-(imidazol-1-ylmethyl)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(2-chlorophenyl)-N-[4-(imidazol-1-ylmethyl)phenyl]prop-2-enamide (CID 38112276) is (E)-3-(2-chlorophenyl)-N-[4-(imidazol-1-ylmethyl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2-chlorophenyl)-N-[4-(imidazol-1-ylmethyl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2-chlorophenyl)-N-[4-(imidazol-1-ylmethyl)phenyl]prop-2-enamide is O=C(/C=C/c1ccccc1Cl)Nc1ccc(Cn2ccnc2)cc1.
What is the InChIKey of (E)-3-(2-chlorophenyl)-N-[4-(imidazol-1-ylmethyl)phenyl]prop-2-enamide?
The InChIKey is OAJHZUJWYMUDBG-JXMROGBWSA-N. The full InChI is InChI=1S/C19H16ClN3O/c20-18-4-2-1-3-16(18)7-10-19(24)22-17-8-5-15(6-9-17)13-23-12-11-21-14-23/h1-12,14H,13H2,(H,22,24)/b10-7+.
What are the key properties of (E)-3-(2-chlorophenyl)-N-[4-(imidazol-1-ylmethyl)phenyl]prop-2-enamide?
(E)-3-(2-chlorophenyl)-N-[4-(imidazol-1-ylmethyl)phenyl]prop-2-enamide has a molecular weight of 337.81 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chlorophenyl)-N-[4-(imidazol-1-ylmethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 38112276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).