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

C17H21N5O4 — CID 77089120

IUPAC2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]acetamide
SMILESCOc1ccc2nc(CCNC(=O)CN3C(=O)NC(C)(C)C3=O)[nH]c2c1
InChIInChI=1S/C17H21N5O4/c1-17(2)15(24)22(16(25)21-17)9-14(23)18-7-6-13-19-11-5-4-10(26-3)8-12(11)20-13/h4-5,8H,6-7,9H2,1-3H3,(H,18,23)(H,19,20)(H,21,25)
InChIKeySGMHZOFBZKTFEG-UHFFFAOYSA-N
MW359.39 g/mol
LogP0.56
Rot. Bonds6

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

2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]acetamide (PubChem CID 77089120) has the molecular formula C17H21N5O4 and a molecular weight of 359.39 g/mol. Its IUPAC name is 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]acetamide
PubChem CID77089120
Molecular FormulaC17H21N5O4
Molecular Weight359.39 g/mol
Exact Mass359.16
IUPAC Name2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]acetamide
SMILESCOc1ccc2nc(CCNC(=O)CN3C(=O)NC(C)(C)C3=O)[nH]c2c1
InChIInChI=1S/C17H21N5O4/c1-17(2)15(24)22(16(25)21-17)9-14(23)18-7-6-13-19-11-5-4-10(26-3)8-12(11)20-13/h4-5,8H,6-7,9H2,1-3H3,(H,18,23)(H,19,20)(H,21,25)
InChIKeySGMHZOFBZKTFEG-UHFFFAOYSA-N
XLogP0.56
TPSA116.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

2-[(4S)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylethyl)acetamide
CID 2098354
2-(2,4-dimethoxyphenyl)-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]acetamide
CID 84560321
2-(6-methoxy-1H-benzimidazol-2-yl)-N-methylethanamine;hydrochloride
CID 72942363
N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]thiomorpholine-4-carboxamide
CID 119069776
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(8-tert-butyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 36806139
N-[2-(4-chlorophenyl)ethyl]-2-[4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 3945063
2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(methylamino)ethyl]acetamide;hydrochloride
CID 119504052
N-ethyl-2-[[2-[(4S)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]acetamide
CID 8570806
2-[(4R)-4-(furan-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 92785314
N-[2-(4-methoxyphenoxy)ethyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 55416466
2-[[2-[(4S)-4-(6-methoxynaphthalen-2-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-N,N-dimethylacetamide
CID 8570824
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(4-methoxyphenoxy)acetamide
CID 19167078

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]acetamide (CID 77089120) is 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]acetamide is COc1ccc2nc(CCNC(=O)CN3C(=O)NC(C)(C)C3=O)[nH]c2c1.
What is the InChIKey of 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]acetamide?
The InChIKey is SGMHZOFBZKTFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O4/c1-17(2)15(24)22(16(25)21-17)9-14(23)18-7-6-13-19-11-5-4-10(26-3)8-12(11)20-13/h4-5,8H,6-7,9H2,1-3H3,(H,18,23)(H,19,20)(H,21,25).
What are the key properties of 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]acetamide?
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]acetamide has a molecular weight of 359.39 g/mol, XLogP of 0.56, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 77089120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).