N-(1H-benzimidazol-2-yl)-2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetamide

C20H17N5O3 — CID 121063843

IUPACN-(1H-benzimidazol-2-yl)-2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetamide
SMILESCOc1ccc(-c2cc(=O)n(CC(=O)Nc3nc4ccccc4[nH]3)cn2)cc1
InChIInChI=1S/C20H17N5O3/c1-28-14-8-6-13(7-9-14)17-10-19(27)25(12-21-17)11-18(26)24-20-22-15-4-2-3-5-16(15)23-20/h2-10,12H,11H2,1H3,(H2,22,23,24,26)
InChIKeyBCVXPSJHLLUDIO-UHFFFAOYSA-N
MW375.39 g/mol
LogP2.43
Rot. Bonds5

About N-(1H-benzimidazol-2-yl)-2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetamide

N-(1H-benzimidazol-2-yl)-2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetamide (PubChem CID 121063843) has the molecular formula C20H17N5O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetamide
PubChem CID121063843
Molecular FormulaC20H17N5O3
Molecular Weight375.39 g/mol
Exact Mass375.13
IUPAC NameN-(1H-benzimidazol-2-yl)-2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetamide
SMILESCOc1ccc(-c2cc(=O)n(CC(=O)Nc3nc4ccccc4[nH]3)cn2)cc1
InChIInChI=1S/C20H17N5O3/c1-28-14-8-6-13(7-9-14)17-10-19(27)25(12-21-17)11-18(26)24-20-22-15-4-2-3-5-16(15)23-20/h2-10,12H,11H2,1H3,(H2,22,23,24,26)
InChIKeyBCVXPSJHLLUDIO-UHFFFAOYSA-N
XLogP2.43
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 18108001
2-(benzimidazol-1-yl)-N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]acetamide
CID 90515924
N-(2-methoxy-4-nitrophenyl)-2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetamide
CID 121063856
N-(1H-benzimidazol-2-yl)-2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 51044493
N-(1H-benzimidazol-2-yl)-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]propanamide
CID 166194187
N-(1H-benzimidazol-2-yl)-2-[4-(dimethylcarbamoylamino)triazol-2-yl]acetamide
CID 112528053
N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetamide
CID 121063880
N-(2-chlorophenyl)-2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]acetamide
CID 30935880
2-amino-N-(1H-benzimidazol-2-yl)-4-methoxybenzamide
CID 115413254
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetamide
CID 121063854
2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 121063799
N-(2,1,3-benzothiadiazol-4-yl)-2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]acetamide
CID 121063780

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetamide (CID 121063843) is N-(1H-benzimidazol-2-yl)-2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetamide is COc1ccc(-c2cc(=O)n(CC(=O)Nc3nc4ccccc4[nH]3)cn2)cc1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetamide?
The InChIKey is BCVXPSJHLLUDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3/c1-28-14-8-6-13(7-9-14)17-10-19(27)25(12-21-17)11-18(26)24-20-22-15-4-2-3-5-16(15)23-20/h2-10,12H,11H2,1H3,(H2,22,23,24,26).
What are the key properties of N-(1H-benzimidazol-2-yl)-2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetamide?
N-(1H-benzimidazol-2-yl)-2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetamide has a molecular weight of 375.39 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetamide is sourced from PubChem (CID 121063843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).