(E)-3-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxy-1-[1-methyl-5-(4-morpholin-4-ylphenyl)imidazol-2-yl]propyl]prop-2-enamide

C26H29ClN4O3 — CID 139939928

IUPAC(E)-3-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxy-1-[1-methyl-5-(4-morpholin-4-ylphenyl)imidazol-2-yl]propyl]prop-2-enamide
SMILESC[C@@H](O)[C@H](NC(=O)/C=C/c1ccc(Cl)cc1)c1ncc(-c2ccc(N3CCOCC3)cc2)n1C
InChIInChI=1S/C26H29ClN4O3/c1-18(32)25(29-24(33)12-5-19-3-8-21(27)9-4-19)26-28-17-23(30(26)2)20-6-10-22(11-7-20)31-13-15-34-16-14-31/h3-12,17-18,25,32H,13-16H2,1-2H3,(H,29,33)/b12-5+/t18-,25+/m1/s1
InChIKeyFOAMLPDKVBHUCD-JDWFMIBWSA-N
MW481.00 g/mol
LogP3.83
Rot. Bonds7

About (E)-3-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxy-1-[1-methyl-5-(4-morpholin-4-ylphenyl)imidazol-2-yl]propyl]prop-2-enamide

(E)-3-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxy-1-[1-methyl-5-(4-morpholin-4-ylphenyl)imidazol-2-yl]propyl]prop-2-enamide (PubChem CID 139939928) has the molecular formula C26H29ClN4O3 and a molecular weight of 481.00 g/mol. Its IUPAC name is (E)-3-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxy-1-[1-methyl-5-(4-morpholin-4-ylphenyl)imidazol-2-yl]propyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxy-1-[1-methyl-5-(4-morpholin-4-ylphenyl)imidazol-2-yl]propyl]prop-2-enamide
PubChem CID139939928
Molecular FormulaC26H29ClN4O3
Molecular Weight481.00 g/mol
Exact Mass480.19
IUPAC Name(E)-3-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxy-1-[1-methyl-5-(4-morpholin-4-ylphenyl)imidazol-2-yl]propyl]prop-2-enamide
SMILESC[C@@H](O)[C@H](NC(=O)/C=C/c1ccc(Cl)cc1)c1ncc(-c2ccc(N3CCOCC3)cc2)n1C
InChIInChI=1S/C26H29ClN4O3/c1-18(32)25(29-24(33)12-5-19-3-8-21(27)9-4-19)26-28-17-23(30(26)2)20-6-10-22(11-7-20)31-13-15-34-16-14-31/h3-12,17-18,25,32H,13-16H2,1-2H3,(H,29,33)/b12-5+/t18-,25+/m1/s1
InChIKeyFOAMLPDKVBHUCD-JDWFMIBWSA-N
XLogP3.83
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.00
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-chlorophenyl)-N-[(1S)-1-[1-methyl-5-(6-morpholin-4-yl-3-pyridinyl)imidazol-2-yl]-2-pyridin-2-ylethyl]prop-2-enamide
CID 139939927
3-(4-chlorophenyl)-N-(4-morpholin-4-ylphenyl)prop-2-enamide
CID 878244
N-(5-chloro-2-morpholin-4-ylphenyl)-3-(4-chlorophenyl)prop-2-enamide
CID 4027785
1,5-bis(4-morpholin-4-ylphenyl)penta-1,4-dien-3-one
CID 57031748
methyl (E)-3-(4-morpholin-4-ylphenyl)prop-2-enoate
CID 91689830
N-[1-(4-chlorophenyl)ethyl]-2-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]oxyacetamide
CID 78836405
3-(4-chlorophenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]prop-2-enamide
CID 3699776
(E)-3-(4-chlorophenyl)-N-(2,4-dimethylpentan-3-yl)prop-2-enamide
CID 806243
(E)-3-(3-methylphenyl)-N-[1-(4-morpholin-4-ylphenyl)ethyl]prop-2-enamide
CID 48664048
(E)-3-(4-chlorophenyl)-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]prop-2-enamide
CID 132657685
1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-(4-morpholin-4-ylphenyl)prop-2-en-1-one
CID 111434188
(E)-3-(4-chlorophenyl)-N-[(2S)-2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]prop-2-enamide
CID 35576965

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxy-1-[1-methyl-5-(4-morpholin-4-ylphenyl)imidazol-2-yl]propyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxy-1-[1-methyl-5-(4-morpholin-4-ylphenyl)imidazol-2-yl]propyl]prop-2-enamide (CID 139939928) is (E)-3-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxy-1-[1-methyl-5-(4-morpholin-4-ylphenyl)imidazol-2-yl]propyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxy-1-[1-methyl-5-(4-morpholin-4-ylphenyl)imidazol-2-yl]propyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxy-1-[1-methyl-5-(4-morpholin-4-ylphenyl)imidazol-2-yl]propyl]prop-2-enamide is C[C@@H](O)[C@H](NC(=O)/C=C/c1ccc(Cl)cc1)c1ncc(-c2ccc(N3CCOCC3)cc2)n1C.
What is the InChIKey of (E)-3-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxy-1-[1-methyl-5-(4-morpholin-4-ylphenyl)imidazol-2-yl]propyl]prop-2-enamide?
The InChIKey is FOAMLPDKVBHUCD-JDWFMIBWSA-N. The full InChI is InChI=1S/C26H29ClN4O3/c1-18(32)25(29-24(33)12-5-19-3-8-21(27)9-4-19)26-28-17-23(30(26)2)20-6-10-22(11-7-20)31-13-15-34-16-14-31/h3-12,17-18,25,32H,13-16H2,1-2H3,(H,29,33)/b12-5+/t18-,25+/m1/s1.
What are the key properties of (E)-3-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxy-1-[1-methyl-5-(4-morpholin-4-ylphenyl)imidazol-2-yl]propyl]prop-2-enamide?
(E)-3-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxy-1-[1-methyl-5-(4-morpholin-4-ylphenyl)imidazol-2-yl]propyl]prop-2-enamide has a molecular weight of 481.00 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-chlorophenyl)-N-[(1R,2R)-2-hydroxy-1-[1-methyl-5-(4-morpholin-4-ylphenyl)imidazol-2-yl]propyl]prop-2-enamide is sourced from PubChem (CID 139939928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).