2-(benzimidazol-1-yl)-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]acetamide

C17H19N5O2 — CID 121120794

IUPAC2-(benzimidazol-1-yl)-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]acetamide
SMILESCc1ncn(CCNC(=O)Cn2cnc3ccccc32)c(=O)c1C
InChIInChI=1S/C17H19N5O2/c1-12-13(2)19-10-21(17(12)24)8-7-18-16(23)9-22-11-20-14-5-3-4-6-15(14)22/h3-6,10-11H,7-9H2,1-2H3,(H,18,23)
InChIKeyVARQAPFJTPAEAX-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.03
Rot. Bonds5

About 2-(benzimidazol-1-yl)-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]acetamide

2-(benzimidazol-1-yl)-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]acetamide (PubChem CID 121120794) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]acetamide
PubChem CID121120794
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name2-(benzimidazol-1-yl)-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]acetamide
SMILESCc1ncn(CCNC(=O)Cn2cnc3ccccc32)c(=O)c1C
InChIInChI=1S/C17H19N5O2/c1-12-13(2)19-10-21(17(12)24)8-7-18-16(23)9-22-11-20-14-5-3-4-6-15(14)22/h3-6,10-11H,7-9H2,1-2H3,(H,18,23)
InChIKeyVARQAPFJTPAEAX-UHFFFAOYSA-N
XLogP1.03
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 121120854
2-(benzimidazol-1-yl)-N-propylacetamide
CID 17028466
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(2-methylphenyl)acetamide
CID 121120778
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 121120827
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]propanamide
CID 121120623
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]acetamide
CID 121120797
N-[2-(benzimidazol-1-yl)ethyl]butanamide
CID 47404733
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 121120898
2-(benzimidazol-1-yl)-N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]acetamide
CID 90515924
4-[[2-(benzimidazol-1-yl)acetyl]amino]-2-methylbutanoic acid
CID 80538626
(2S)-4-[[2-(benzimidazol-1-yl)acetyl]amino]-2-hydroxybutanoic acid
CID 107833952
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-pyridin-4-ylsulfanylacetamide
CID 121120887

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]acetamide?
The IUPAC name of 2-(benzimidazol-1-yl)-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]acetamide (CID 121120794) is 2-(benzimidazol-1-yl)-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]acetamide is Cc1ncn(CCNC(=O)Cn2cnc3ccccc32)c(=O)c1C.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]acetamide?
The InChIKey is VARQAPFJTPAEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-12-13(2)19-10-21(17(12)24)8-7-18-16(23)9-22-11-20-14-5-3-4-6-15(14)22/h3-6,10-11H,7-9H2,1-2H3,(H,18,23).
What are the key properties of 2-(benzimidazol-1-yl)-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]acetamide?
2-(benzimidazol-1-yl)-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]acetamide has a molecular weight of 325.37 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]acetamide is sourced from PubChem (CID 121120794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).