N-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide

C22H19ClN4O3 — CID 71554246

IUPACN-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(-c2nc3ncccn3c2C(=O)N(C)c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C22H19ClN4O3/c1-26(16-8-6-15(23)7-9-16)21(28)20-19(25-22-24-11-4-12-27(20)22)14-5-10-17(29-2)18(13-14)30-3/h4-13H,1-3H3
InChIKeyYMIHZVFVESBMBD-UHFFFAOYSA-N
MW422.87 g/mol
LogP4.34
Rot. Bonds5

About N-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide

N-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide (PubChem CID 71554246) has the molecular formula C22H19ClN4O3 and a molecular weight of 422.87 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide
PubChem CID71554246
Molecular FormulaC22H19ClN4O3
Molecular Weight422.87 g/mol
Exact Mass422.11
IUPAC NameN-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(-c2nc3ncccn3c2C(=O)N(C)c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C22H19ClN4O3/c1-26(16-8-6-15(23)7-9-16)21(28)20-19(25-22-24-11-4-12-27(20)22)14-5-10-17(29-2)18(13-14)30-3/h4-13H,1-3H3
InChIKeyYMIHZVFVESBMBD-UHFFFAOYSA-N
XLogP4.34
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.87
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide (CID 71554246) is N-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide is COc1ccc(-c2nc3ncccn3c2C(=O)N(C)c2ccc(Cl)cc2)cc1OC.
What is the InChIKey of N-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is YMIHZVFVESBMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O3/c1-26(16-8-6-15(23)7-9-16)21(28)20-19(25-22-24-11-4-12-27(20)22)14-5-10-17(29-2)18(13-14)30-3/h4-13H,1-3H3.
What are the key properties of N-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide?
N-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 422.87 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 71554246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).