3-(4-chlorophenyl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)prop-2-enamide

C21H15ClN4O — CID 55825812

IUPAC3-(4-chlorophenyl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)prop-2-enamide
SMILESO=C(C=Cc1ccc(Cl)cc1)Nc1ccc(-c2cn3cccnc3n2)cc1
InChIInChI=1S/C21H15ClN4O/c22-17-7-2-15(3-8-17)4-11-20(27)24-18-9-5-16(6-10-18)19-14-26-13-1-12-23-21(26)25-19/h1-14H,(H,24,27)
InChIKeyDUTRBVKODQOMIT-UHFFFAOYSA-N
MW374.83 g/mol
LogP4.70
Rot. Bonds4

About 3-(4-chlorophenyl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)prop-2-enamide

3-(4-chlorophenyl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)prop-2-enamide (PubChem CID 55825812) has the molecular formula C21H15ClN4O and a molecular weight of 374.83 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)prop-2-enamide
PubChem CID55825812
Molecular FormulaC21H15ClN4O
Molecular Weight374.83 g/mol
Exact Mass374.09
IUPAC Name3-(4-chlorophenyl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)prop-2-enamide
SMILESO=C(C=Cc1ccc(Cl)cc1)Nc1ccc(-c2cn3cccnc3n2)cc1
InChIInChI=1S/C21H15ClN4O/c22-17-7-2-15(3-8-17)4-11-20(27)24-18-9-5-16(6-10-18)19-14-26-13-1-12-23-21(26)25-19/h1-14H,(H,24,27)
InChIKeyDUTRBVKODQOMIT-UHFFFAOYSA-N
XLogP4.70
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.83
LogP ≤ 54.70
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-chlorophenyl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)prop-2-enamide
CID 98846407
(E)-3-(4-chlorophenyl)-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)prop-2-enamide
CID 122285177
(E)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-pyridin-2-ylprop-2-enamide
CID 75417013
(E)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 98850958
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-3-phenylprop-2-enamide
CID 7080283
(E)-3-(4-chlorophenyl)-N-(4-iodophenyl)prop-2-enamide
CID 1179042
(E)-3-(4-chlorophenyl)-N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)prop-2-enamide
CID 122283426
(E)-N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3-(4-chlorophenyl)prop-2-enamide
CID 28865321
(E)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-(4-methylphenyl)ethenesulfonamide
CID 122285710
N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-propylpentanamide
CID 20868684
2-hydroxy-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)cyclopentane-1-carboxamide
CID 110015358
(E)-N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-3-(4-fluorophenyl)prop-2-enamide
CID 108770202

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)prop-2-enamide?
The IUPAC name of 3-(4-chlorophenyl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)prop-2-enamide (CID 55825812) is 3-(4-chlorophenyl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)prop-2-enamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)prop-2-enamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)prop-2-enamide is O=C(C=Cc1ccc(Cl)cc1)Nc1ccc(-c2cn3cccnc3n2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)prop-2-enamide?
The InChIKey is DUTRBVKODQOMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN4O/c22-17-7-2-15(3-8-17)4-11-20(27)24-18-9-5-16(6-10-18)19-14-26-13-1-12-23-21(26)25-19/h1-14H,(H,24,27).
What are the key properties of 3-(4-chlorophenyl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)prop-2-enamide?
3-(4-chlorophenyl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)prop-2-enamide has a molecular weight of 374.83 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)prop-2-enamide is sourced from PubChem (CID 55825812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).