N-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

C21H20FN5O5 — CID 139000323

IUPACN-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCOc1cc2nc(NC(=O)CN3C(=O)NC(C)(c4ccc(F)cc4)C3=O)[nH]c2cc1OC
InChIInChI=1S/C21H20FN5O5/c1-21(11-4-6-12(22)7-5-11)18(29)27(20(30)26-21)10-17(28)25-19-23-13-8-15(31-2)16(32-3)9-14(13)24-19/h4-9H,10H2,1-3H3,(H,26,30)(H2,23,24,25,28)
InChIKeyKCWQRVIEDFRCNR-UHFFFAOYSA-N
MW441.42 g/mol
LogP2.12
Rot. Bonds6

About N-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide

N-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 139000323) has the molecular formula C21H20FN5O5 and a molecular weight of 441.42 g/mol. Its IUPAC name is N-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID139000323
Molecular FormulaC21H20FN5O5
Molecular Weight441.42 g/mol
Exact Mass441.14
IUPAC NameN-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCOc1cc2nc(NC(=O)CN3C(=O)NC(C)(c4ccc(F)cc4)C3=O)[nH]c2cc1OC
InChIInChI=1S/C21H20FN5O5/c1-21(11-4-6-12(22)7-5-11)18(29)27(20(30)26-21)10-17(28)25-19-23-13-8-15(31-2)16(32-3)9-14(13)24-19/h4-9H,10H2,1-3H3,(H,26,30)(H2,23,24,25,28)
InChIKeyKCWQRVIEDFRCNR-UHFFFAOYSA-N
XLogP2.12
TPSA125.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.42
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(1H-benzimidazol-2-yl)-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7999180
N-(1H-benzimidazol-2-yl)-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 27649331
methyl 4-(difluoromethoxy)-2-[[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-5-methoxybenzoate
CID 55520341
(5S)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 52529593
3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 18099222
N-(2,5-difluorophenyl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51250071
N-(2-methoxyphenyl)-2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2582081
N-(4-fluorophenyl)-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2581954
2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(6-methyl-2-pyridinyl)acetamide
CID 43042915
N-(2-fluorophenyl)-2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 40841028
N-(2-ethoxyphenyl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 46633986
N-(3-fluoro-4-methylphenyl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51250072

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide (CID 139000323) is N-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is COc1cc2nc(NC(=O)CN3C(=O)NC(C)(c4ccc(F)cc4)C3=O)[nH]c2cc1OC.
What is the InChIKey of N-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is KCWQRVIEDFRCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O5/c1-21(11-4-6-12(22)7-5-11)18(29)27(20(30)26-21)10-17(28)25-19-23-13-8-15(31-2)16(32-3)9-14(13)24-19/h4-9H,10H2,1-3H3,(H,26,30)(H2,23,24,25,28).
What are the key properties of N-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide?
N-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 441.42 g/mol, XLogP of 2.12, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethoxy-1H-benzimidazol-2-yl)-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 139000323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).