2-(2,4-dioxopyrimidin-1-yl)-N-ethyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]acetamide

C18H21N5O3 — CID 50970037

IUPAC2-(2,4-dioxopyrimidin-1-yl)-N-ethyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]acetamide
SMILESCCN(CCc1nc2ccc(C)cc2[nH]1)C(=O)Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C18H21N5O3/c1-3-22(17(25)11-23-9-7-16(24)21-18(23)26)8-6-15-19-13-5-4-12(2)10-14(13)20-15/h4-5,7,9-10H,3,6,8,11H2,1-2H3,(H,19,20)(H,21,24,26)
InChIKeyUTOFERLWVXOYMH-UHFFFAOYSA-N
MW355.40 g/mol
LogP0.81
Rot. Bonds6

About 2-(2,4-dioxopyrimidin-1-yl)-N-ethyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]acetamide

2-(2,4-dioxopyrimidin-1-yl)-N-ethyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]acetamide (PubChem CID 50970037) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is 2-(2,4-dioxopyrimidin-1-yl)-N-ethyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dioxopyrimidin-1-yl)-N-ethyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]acetamide
PubChem CID50970037
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC Name2-(2,4-dioxopyrimidin-1-yl)-N-ethyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]acetamide
SMILESCCN(CCc1nc2ccc(C)cc2[nH]1)C(=O)Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C18H21N5O3/c1-3-22(17(25)11-23-9-7-16(24)21-18(23)26)8-6-15-19-13-5-4-12(2)10-14(13)20-15/h4-5,7,9-10H,3,6,8,11H2,1-2H3,(H,19,20)(H,21,24,26)
InChIKeyUTOFERLWVXOYMH-UHFFFAOYSA-N
XLogP0.81
TPSA103.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,5-dioxoimidazolidin-1-yl)-N-ethyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]acetamide
CID 91766350
N-ethyl-2-(3-hydroxypiperidin-1-yl)-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]acetamide
CID 91783336
methyl 3-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-ethylamino]propanoate
CID 61010746
2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]-ethylamino]acetic acid
CID 54901429
N-ethyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-3-propyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 58074753
(2S)-2-amino-N-ethyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-4-methylsulfanylbutanamide
CID 46995178
N-ethyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-4-oxochromene-2-carboxamide
CID 46993360
N,N-dimethyl-2-(6-methyl-1H-benzimidazol-2-yl)ethanamine
CID 45040735
(3S)-N-ethyl-2-methyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95872570
N-ethyl-6-(2-hydroxyethyl)-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 50964140
1-[4-[[ethyl-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]amino]methyl]phenyl]ethanone
CID 46996454
N,N-diethyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 891266

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxopyrimidin-1-yl)-N-ethyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-(2,4-dioxopyrimidin-1-yl)-N-ethyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]acetamide (CID 50970037) is 2-(2,4-dioxopyrimidin-1-yl)-N-ethyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2,4-dioxopyrimidin-1-yl)-N-ethyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(2,4-dioxopyrimidin-1-yl)-N-ethyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]acetamide is CCN(CCc1nc2ccc(C)cc2[nH]1)C(=O)Cn1ccc(=O)[nH]c1=O.
What is the InChIKey of 2-(2,4-dioxopyrimidin-1-yl)-N-ethyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]acetamide?
The InChIKey is UTOFERLWVXOYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-3-22(17(25)11-23-9-7-16(24)21-18(23)26)8-6-15-19-13-5-4-12(2)10-14(13)20-15/h4-5,7,9-10H,3,6,8,11H2,1-2H3,(H,19,20)(H,21,24,26).
What are the key properties of 2-(2,4-dioxopyrimidin-1-yl)-N-ethyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]acetamide?
2-(2,4-dioxopyrimidin-1-yl)-N-ethyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]acetamide has a molecular weight of 355.40 g/mol, XLogP of 0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxopyrimidin-1-yl)-N-ethyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 50970037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).