2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[1-(6-methyl-1H-benzimidazol-2-yl)propyl]acetamide

C17H19N5O3 — CID 86287124

IUPAC2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[1-(6-methyl-1H-benzimidazol-2-yl)propyl]acetamide
SMILESCCC(NC(=O)Cc1c[nH]c(=O)[nH]c1=O)c1nc2ccc(C)cc2[nH]1
InChIInChI=1S/C17H19N5O3/c1-3-11(15-20-12-5-4-9(2)6-13(12)21-15)19-14(23)7-10-8-18-17(25)22-16(10)24/h4-6,8,11H,3,7H2,1-2H3,(H,19,23)(H,20,21)(H2,18,22,24,25)
InChIKeyKKCRAHXXUUOTIS-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.06
Rot. Bonds5

About 2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[1-(6-methyl-1H-benzimidazol-2-yl)propyl]acetamide

2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[1-(6-methyl-1H-benzimidazol-2-yl)propyl]acetamide (PubChem CID 86287124) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is 2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[1-(6-methyl-1H-benzimidazol-2-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[1-(6-methyl-1H-benzimidazol-2-yl)propyl]acetamide
PubChem CID86287124
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[1-(6-methyl-1H-benzimidazol-2-yl)propyl]acetamide
SMILESCCC(NC(=O)Cc1c[nH]c(=O)[nH]c1=O)c1nc2ccc(C)cc2[nH]1
InChIInChI=1S/C17H19N5O3/c1-3-11(15-20-12-5-4-9(2)6-13(12)21-15)19-14(23)7-10-8-18-17(25)22-16(10)24/h4-6,8,11H,3,7H2,1-2H3,(H,19,23)(H,20,21)(H2,18,22,24,25)
InChIKeyKKCRAHXXUUOTIS-UHFFFAOYSA-N
XLogP1.06
TPSA123.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[1-(6-methyl-1H-benzimidazol-2-yl)propyl]acetamide with MolForge

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Related Compounds

N-[1-(6-methyl-1H-benzimidazol-2-yl)propyl]-3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 45182727
N-[(1S)-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-4-pyridin-4-ylpiperazine-1-carboxamide
CID 126440928
1-cyclohexyl-N-[(1S)-1-(6-methyl-1H-benzimidazol-2-yl)propyl]triazole-4-carboxamide
CID 42197056
1,2-bis(6-methyl-1H-benzimidazol-2-yl)ethane-1,2-diol
CID 653921
(1R,2R)-1,2-bis(6-methyl-1H-benzimidazol-2-yl)ethane-1,2-diol
CID 1090298
N-[(1S)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-2-pyridin-2-ylacetamide
CID 99973307
4,4,4-trifluoro-N-[(1R)-1-(6-methyl-1H-benzimidazol-2-yl)ethyl]butanamide
CID 124749354
2-[(3S)-1-(3-methoxypropyl)-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(1S)-1-(6-methyl-1H-benzimidazol-2-yl)propyl]acetamide
CID 42170193
2-[(3R)-1-(3-methoxypropyl)-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(1R)-1-(6-methyl-1H-benzimidazol-2-yl)propyl]acetamide
CID 42170194
ethyl 3-methyl-2-(6-methyl-1H-benzimidazol-2-yl)butanoate
CID 79474874
5-[[(1R)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]amino]-5-oxopentanoic acid
CID 124755764
N-[(1S)-1-(1H-benzimidazol-2-yl)propyl]-4-oxo-4-phenylbutanamide
CID 95175043

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[1-(6-methyl-1H-benzimidazol-2-yl)propyl]acetamide?
The IUPAC name of 2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[1-(6-methyl-1H-benzimidazol-2-yl)propyl]acetamide (CID 86287124) is 2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[1-(6-methyl-1H-benzimidazol-2-yl)propyl]acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[1-(6-methyl-1H-benzimidazol-2-yl)propyl]acetamide?
The canonical SMILES for 2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[1-(6-methyl-1H-benzimidazol-2-yl)propyl]acetamide is CCC(NC(=O)Cc1c[nH]c(=O)[nH]c1=O)c1nc2ccc(C)cc2[nH]1.
What is the InChIKey of 2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[1-(6-methyl-1H-benzimidazol-2-yl)propyl]acetamide?
The InChIKey is KKCRAHXXUUOTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-3-11(15-20-12-5-4-9(2)6-13(12)21-15)19-14(23)7-10-8-18-17(25)22-16(10)24/h4-6,8,11H,3,7H2,1-2H3,(H,19,23)(H,20,21)(H2,18,22,24,25).
What are the key properties of 2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[1-(6-methyl-1H-benzimidazol-2-yl)propyl]acetamide?
2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[1-(6-methyl-1H-benzimidazol-2-yl)propyl]acetamide has a molecular weight of 341.37 g/mol, XLogP of 1.06, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[1-(6-methyl-1H-benzimidazol-2-yl)propyl]acetamide is sourced from PubChem (CID 86287124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).