N-(2-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,4-dimethoxybenzamide

C21H18N4O3 — CID 59680100

IUPACN-(2-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2-c2cn3cccnc3n2)c(OC)c1
InChIInChI=1S/C21H18N4O3/c1-27-14-8-9-16(19(12-14)28-2)20(26)23-17-7-4-3-6-15(17)18-13-25-11-5-10-22-21(25)24-18/h3-13H,1-2H3,(H,23,26)
InChIKeyKCZSNGRVDVRBII-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.67
Rot. Bonds5

About N-(2-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,4-dimethoxybenzamide

N-(2-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,4-dimethoxybenzamide (PubChem CID 59680100) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-(2-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(2-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,4-dimethoxybenzamide
PubChem CID59680100
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC NameN-(2-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2-c2cn3cccnc3n2)c(OC)c1
InChIInChI=1S/C21H18N4O3/c1-27-14-8-9-16(19(12-14)28-2)20(26)23-17-7-4-3-6-15(17)18-13-25-11-5-10-22-21(25)24-18/h3-13H,1-2H3,(H,23,26)
InChIKeyKCZSNGRVDVRBII-UHFFFAOYSA-N
XLogP3.67
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]-2,4-dimethoxybenzamide
CID 121148238
2,4-dimethoxy-N-(2-phenylphenyl)benzamide
CID 26727528
N-[2-[2-(2-fluorophenyl)-1,3-thiazol-4-yl]phenyl]-2,4-dimethoxybenzamide
CID 121148552
methyl 3-imidazo[1,2-a]pyrimidin-2-ylazulene-1-carboxylate
CID 12025079
2,4-dimethoxy-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 2980139
(4-imidazo[1,2-a]pyrimidin-2-yl-3-methoxyphenyl)urea
CID 70045168
N-(2-iodophenyl)-2,4-dimethoxybenzamide
CID 3340182
3-(2,5-dimethoxyphenyl)-N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-1H-pyrazole-5-carboxamide
CID 121148931
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-4-methylthiadiazole-5-carboxamide
CID 121033055
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-3-methylbenzamide
CID 7080258
2,4-dimethoxy-N-(3-phenyl-1,8-naphthyridin-2-yl)benzamide
CID 42111217
N-[2-[(2,4-dimethoxybenzoyl)amino]phenyl]furan-2-carboxamide
CID 1026612

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,4-dimethoxybenzamide?
The IUPAC name of N-(2-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,4-dimethoxybenzamide (CID 59680100) is N-(2-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,4-dimethoxybenzamide.
What is the SMILES notation for N-(2-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,4-dimethoxybenzamide?
The canonical SMILES for N-(2-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2ccccc2-c2cn3cccnc3n2)c(OC)c1.
What is the InChIKey of N-(2-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,4-dimethoxybenzamide?
The InChIKey is KCZSNGRVDVRBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c1-27-14-8-9-16(19(12-14)28-2)20(26)23-17-7-4-3-6-15(17)18-13-25-11-5-10-22-21(25)24-18/h3-13H,1-2H3,(H,23,26).
What are the key properties of N-(2-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,4-dimethoxybenzamide?
N-(2-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,4-dimethoxybenzamide has a molecular weight of 374.40 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,4-dimethoxybenzamide is sourced from PubChem (CID 59680100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).