N-[2-chloro-5-(6-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2-phenylbutanamide

C23H21ClN4O — CID 142595749

IUPACN-[2-chloro-5-(6-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2-phenylbutanamide
SMILESCCC(C(=O)Nc1cc(-c2cn3cc(C)cnc3n2)ccc1Cl)c1ccccc1
InChIInChI=1S/C23H21ClN4O/c1-3-18(16-7-5-4-6-8-16)22(29)26-20-11-17(9-10-19(20)24)21-14-28-13-15(2)12-25-23(28)27-21/h4-14,18H,3H2,1-2H3,(H,26,29)
InChIKeyCQXHWKOPUGEDQI-UHFFFAOYSA-N
MW404.90 g/mol
LogP5.49
Rot. Bonds5

About N-[2-chloro-5-(6-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2-phenylbutanamide

N-[2-chloro-5-(6-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2-phenylbutanamide (PubChem CID 142595749) has the molecular formula C23H21ClN4O and a molecular weight of 404.90 g/mol. Its IUPAC name is N-[2-chloro-5-(6-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2-phenylbutanamide.

Molecular Properties

Compound NameN-[2-chloro-5-(6-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2-phenylbutanamide
PubChem CID142595749
Molecular FormulaC23H21ClN4O
Molecular Weight404.90 g/mol
Exact Mass404.14
IUPAC NameN-[2-chloro-5-(6-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2-phenylbutanamide
SMILESCCC(C(=O)Nc1cc(-c2cn3cc(C)cnc3n2)ccc1Cl)c1ccccc1
InChIInChI=1S/C23H21ClN4O/c1-3-18(16-7-5-4-6-8-16)22(29)26-20-11-17(9-10-19(20)24)21-14-28-13-15(2)12-25-23(28)27-21/h4-14,18H,3H2,1-2H3,(H,26,29)
InChIKeyCQXHWKOPUGEDQI-UHFFFAOYSA-N
XLogP5.49
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.90
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(6-methoxyimidazo[1,2-a]pyrimidin-2-yl)-2-methylphenyl]-2-phenylbutanamide
CID 142595755
N-[2-chloro-5-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2-phenylacetamide
CID 169026641
(2R)-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-phenylbutanamide
CID 7080187
N-[4-(7-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2-phenylbutanamide
CID 18568502
N-(3,5-dichloro-2-hydroxyphenyl)-2-phenylbutanamide
CID 107675571
2-ethyl-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)butanamide
CID 7080196
2-chloro-N-[5-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)-2-methylphenyl]benzamide
CID 155091264
N-(2,4-dimethylphenyl)-2-phenylbutanamide
CID 2886746
4-chloro-2-[[(2S)-2-phenylbutanoyl]amino]benzoic acid
CID 2204406
(2R)-N-(4-methylphenyl)-2-phenylbutanamide
CID 835806
N-(4-hydroxy-2,5-dimethylphenyl)-2-phenylbutanamide
CID 106834917
2-chloro-5-(2-phenylbutanoylamino)benzamide
CID 42949295

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(6-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2-phenylbutanamide?
The IUPAC name of N-[2-chloro-5-(6-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2-phenylbutanamide (CID 142595749) is N-[2-chloro-5-(6-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2-phenylbutanamide.
What is the SMILES notation for N-[2-chloro-5-(6-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2-phenylbutanamide?
The canonical SMILES for N-[2-chloro-5-(6-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2-phenylbutanamide is CCC(C(=O)Nc1cc(-c2cn3cc(C)cnc3n2)ccc1Cl)c1ccccc1.
What is the InChIKey of N-[2-chloro-5-(6-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2-phenylbutanamide?
The InChIKey is CQXHWKOPUGEDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O/c1-3-18(16-7-5-4-6-8-16)22(29)26-20-11-17(9-10-19(20)24)21-14-28-13-15(2)12-25-23(28)27-21/h4-14,18H,3H2,1-2H3,(H,26,29).
What are the key properties of N-[2-chloro-5-(6-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2-phenylbutanamide?
N-[2-chloro-5-(6-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2-phenylbutanamide has a molecular weight of 404.90 g/mol, XLogP of 5.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(6-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]-2-phenylbutanamide is sourced from PubChem (CID 142595749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).