N-[(E)-(4-chlorophenyl)methoxyiminomethyl]-3-cyano-5,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxamide

C18H15ClN6O2 — CID 135601083

IUPACN-[(E)-(4-chlorophenyl)methoxyiminomethyl]-3-cyano-5,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2c(C#N)c(C(=O)N/C=N/OCc3ccc(Cl)cc3)nc2n1
InChIInChI=1S/C18H15ClN6O2/c1-11-7-12(2)25-15(8-20)16(24-18(25)23-11)17(26)21-10-22-27-9-13-3-5-14(19)6-4-13/h3-7,10H,9H2,1-2H3,(H,21,22,26)
InChIKeyGQKNYGDIIGBUHN-UHFFFAOYSA-N
MW382.81 g/mol
LogP2.76
Rot. Bonds5

About N-[(E)-(4-chlorophenyl)methoxyiminomethyl]-3-cyano-5,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxamide

N-[(E)-(4-chlorophenyl)methoxyiminomethyl]-3-cyano-5,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxamide (PubChem CID 135601083) has the molecular formula C18H15ClN6O2 and a molecular weight of 382.81 g/mol. Its IUPAC name is N-[(E)-(4-chlorophenyl)methoxyiminomethyl]-3-cyano-5,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-chlorophenyl)methoxyiminomethyl]-3-cyano-5,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxamide
PubChem CID135601083
Molecular FormulaC18H15ClN6O2
Molecular Weight382.81 g/mol
Exact Mass382.09
IUPAC NameN-[(E)-(4-chlorophenyl)methoxyiminomethyl]-3-cyano-5,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2c(C#N)c(C(=O)N/C=N/OCc3ccc(Cl)cc3)nc2n1
InChIInChI=1S/C18H15ClN6O2/c1-11-7-12(2)25-15(8-20)16(24-18(25)23-11)17(26)21-10-22-27-9-13-3-5-14(19)6-4-13/h3-7,10H,9H2,1-2H3,(H,21,22,26)
InChIKeyGQKNYGDIIGBUHN-UHFFFAOYSA-N
XLogP2.76
TPSA104.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.81
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-chlorophenyl)methoxyiminomethyl]-3-cyano-5,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[(E)-(4-chlorophenyl)methoxyiminomethyl]-3-cyano-5,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxamide (CID 135601083) is N-[(E)-(4-chlorophenyl)methoxyiminomethyl]-3-cyano-5,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[(E)-(4-chlorophenyl)methoxyiminomethyl]-3-cyano-5,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[(E)-(4-chlorophenyl)methoxyiminomethyl]-3-cyano-5,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxamide is Cc1cc(C)n2c(C#N)c(C(=O)N/C=N/OCc3ccc(Cl)cc3)nc2n1.
What is the InChIKey of N-[(E)-(4-chlorophenyl)methoxyiminomethyl]-3-cyano-5,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxamide?
The InChIKey is GQKNYGDIIGBUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN6O2/c1-11-7-12(2)25-15(8-20)16(24-18(25)23-11)17(26)21-10-22-27-9-13-3-5-14(19)6-4-13/h3-7,10H,9H2,1-2H3,(H,21,22,26).
What are the key properties of N-[(E)-(4-chlorophenyl)methoxyiminomethyl]-3-cyano-5,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxamide?
N-[(E)-(4-chlorophenyl)methoxyiminomethyl]-3-cyano-5,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxamide has a molecular weight of 382.81 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-chlorophenyl)methoxyiminomethyl]-3-cyano-5,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 135601083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).