N-(4-chlorophenyl)-2-(4-fluorophenyl)-N-propan-2-ylimidazo[1,2-a]pyrimidine-3-carboxamide

C22H18ClFN4O — CID 71553723

IUPACN-(4-chlorophenyl)-2-(4-fluorophenyl)-N-propan-2-ylimidazo[1,2-a]pyrimidine-3-carboxamide
SMILESCC(C)N(C(=O)c1c(-c2ccc(F)cc2)nc2ncccn12)c1ccc(Cl)cc1
InChIInChI=1S/C22H18ClFN4O/c1-14(2)28(18-10-6-16(23)7-11-18)21(29)20-19(15-4-8-17(24)9-5-15)26-22-25-12-3-13-27(20)22/h3-14H,1-2H3
InChIKeyNBIOVDHSVRARQE-UHFFFAOYSA-N
MW408.86 g/mol
LogP5.24
Rot. Bonds4

About N-(4-chlorophenyl)-2-(4-fluorophenyl)-N-propan-2-ylimidazo[1,2-a]pyrimidine-3-carboxamide

N-(4-chlorophenyl)-2-(4-fluorophenyl)-N-propan-2-ylimidazo[1,2-a]pyrimidine-3-carboxamide (PubChem CID 71553723) has the molecular formula C22H18ClFN4O and a molecular weight of 408.86 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(4-fluorophenyl)-N-propan-2-ylimidazo[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(4-fluorophenyl)-N-propan-2-ylimidazo[1,2-a]pyrimidine-3-carboxamide
PubChem CID71553723
Molecular FormulaC22H18ClFN4O
Molecular Weight408.86 g/mol
Exact Mass408.12
IUPAC NameN-(4-chlorophenyl)-2-(4-fluorophenyl)-N-propan-2-ylimidazo[1,2-a]pyrimidine-3-carboxamide
SMILESCC(C)N(C(=O)c1c(-c2ccc(F)cc2)nc2ncccn12)c1ccc(Cl)cc1
InChIInChI=1S/C22H18ClFN4O/c1-14(2)28(18-10-6-16(23)7-11-18)21(29)20-19(15-4-8-17(24)9-5-15)26-22-25-12-3-13-27(20)22/h3-14H,1-2H3
InChIKeyNBIOVDHSVRARQE-UHFFFAOYSA-N
XLogP5.24
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.86
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,2-bis(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide
CID 71554419
2-(3-fluoro-4-methoxyphenyl)-N-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide
CID 71553290
ethyl 4-[[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidine-3-carbonyl]-methylamino]benzoate
CID 118045047
N-(4-chlorophenyl)-2-(3,4-dimethoxyphenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide
CID 71554246
2-(2,6-dihydroxyphenyl)-N-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide
CID 71553637
N-(4-chlorophenyl)-2-(2,4-difluorophenoxy)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide
CID 71553473
2-[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]ethanamine
CID 82299531
3-(4-fluorophenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyrimidine
CID 69375800
2-[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]ethanamine
CID 95475392
3-[2-(4-fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]propan-1-amine
CID 170879132
N-(4-chlorophenyl)-2-(3-fluoro-4-hydroxyanilino)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide
CID 71554070
3-[[2-(4-chlorophenyl)imidazo[1,2-a]pyrimidin-3-yl]methyl]-N-[(2,6-difluorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxamide
CID 155270938

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(4-fluorophenyl)-N-propan-2-ylimidazo[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-2-(4-fluorophenyl)-N-propan-2-ylimidazo[1,2-a]pyrimidine-3-carboxamide (CID 71553723) is N-(4-chlorophenyl)-2-(4-fluorophenyl)-N-propan-2-ylimidazo[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(4-fluorophenyl)-N-propan-2-ylimidazo[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(4-fluorophenyl)-N-propan-2-ylimidazo[1,2-a]pyrimidine-3-carboxamide is CC(C)N(C(=O)c1c(-c2ccc(F)cc2)nc2ncccn12)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-(4-fluorophenyl)-N-propan-2-ylimidazo[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is NBIOVDHSVRARQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN4O/c1-14(2)28(18-10-6-16(23)7-11-18)21(29)20-19(15-4-8-17(24)9-5-15)26-22-25-12-3-13-27(20)22/h3-14H,1-2H3.
What are the key properties of N-(4-chlorophenyl)-2-(4-fluorophenyl)-N-propan-2-ylimidazo[1,2-a]pyrimidine-3-carboxamide?
N-(4-chlorophenyl)-2-(4-fluorophenyl)-N-propan-2-ylimidazo[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 408.86 g/mol, XLogP of 5.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(4-fluorophenyl)-N-propan-2-ylimidazo[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 71553723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).