N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-3-methylbenzamide

C21H18N4O2 — CID 7080258

IUPACN-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-3-methylbenzamide
SMILESCOc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1cccc(C)c1
InChIInChI=1S/C21H18N4O2/c1-14-5-3-6-16(11-14)20(26)23-17-12-15(7-8-19(17)27-2)18-13-25-10-4-9-22-21(25)24-18/h3-13H,1-2H3,(H,23,26)
InChIKeyMVXTXFKMSGJHKN-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.97
Rot. Bonds4

About N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-3-methylbenzamide

N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-3-methylbenzamide (PubChem CID 7080258) has the molecular formula C21H18N4O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-3-methylbenzamide.

Molecular Properties

Compound NameN-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-3-methylbenzamide
PubChem CID7080258
Molecular FormulaC21H18N4O2
Molecular Weight358.40 g/mol
Exact Mass358.14
IUPAC NameN-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-3-methylbenzamide
SMILESCOc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1cccc(C)c1
InChIInChI=1S/C21H18N4O2/c1-14-5-3-6-16(11-14)20(26)23-17-12-15(7-8-19(17)27-2)18-13-25-10-4-9-22-21(25)24-18/h3-13H,1-2H3,(H,23,26)
InChIKeyMVXTXFKMSGJHKN-UHFFFAOYSA-N
XLogP3.97
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-1,3-benzothiazole-6-carboxamide
CID 122285443
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-4-methylthiophene-2-carboxamide
CID 122285495
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 122285527
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-4-methylthiadiazole-5-carboxamide
CID 121033055
3-bromo-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide
CID 7080226
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-3-phenylprop-2-enamide
CID 7080283
3,3,3-trifluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)propanamide
CID 122285536
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-2-naphthalen-1-ylacetamide
CID 122285464
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-2-(4-methylpyrimidin-2-yl)oxyacetamide
CID 121086914
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-3-(trifluoromethoxy)benzamide
CID 122285351
2-(4-fluorophenoxy)-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)acetamide
CID 122285463
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-2,5-dimethylbenzamide
CID 121033035

Frequently Asked Questions

What is the IUPAC name of N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-3-methylbenzamide?
The IUPAC name of N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-3-methylbenzamide (CID 7080258) is N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-3-methylbenzamide.
What is the SMILES notation for N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-3-methylbenzamide?
The canonical SMILES for N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-3-methylbenzamide is COc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1cccc(C)c1.
What is the InChIKey of N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-3-methylbenzamide?
The InChIKey is MVXTXFKMSGJHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O2/c1-14-5-3-6-16(11-14)20(26)23-17-12-15(7-8-19(17)27-2)18-13-25-10-4-9-22-21(25)24-18/h3-13H,1-2H3,(H,23,26).
What are the key properties of N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-3-methylbenzamide?
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-3-methylbenzamide has a molecular weight of 358.40 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-3-methylbenzamide is sourced from PubChem (CID 7080258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).