N-[(E)-1-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]ethylideneamino]-2-(1-methylbenzimidazol-2-yl)acetamide

C22H25N5O3 — CID 55352920

IUPACN-[(E)-1-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]ethylideneamino]-2-(1-methylbenzimidazol-2-yl)acetamide
SMILESC/C(=N\NC(=O)Cc1nc2ccccc2n1C)c1ccc(OCC(=O)N(C)C)cc1
InChIInChI=1S/C22H25N5O3/c1-15(16-9-11-17(12-10-16)30-14-22(29)26(2)3)24-25-21(28)13-20-23-18-7-5-6-8-19(18)27(20)4/h5-12H,13-14H2,1-4H3,(H,25,28)/b24-15+
InChIKeyZVCZXIFUACJSJJ-BUVRLJJBSA-N
MW407.47 g/mol
LogP2.12
Rot. Bonds7

About N-[(E)-1-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]ethylideneamino]-2-(1-methylbenzimidazol-2-yl)acetamide

N-[(E)-1-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]ethylideneamino]-2-(1-methylbenzimidazol-2-yl)acetamide (PubChem CID 55352920) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-[(E)-1-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]ethylideneamino]-2-(1-methylbenzimidazol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-1-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]ethylideneamino]-2-(1-methylbenzimidazol-2-yl)acetamide
PubChem CID55352920
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC NameN-[(E)-1-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]ethylideneamino]-2-(1-methylbenzimidazol-2-yl)acetamide
SMILESC/C(=N\NC(=O)Cc1nc2ccccc2n1C)c1ccc(OCC(=O)N(C)C)cc1
InChIInChI=1S/C22H25N5O3/c1-15(16-9-11-17(12-10-16)30-14-22(29)26(2)3)24-25-21(28)13-20-23-18-7-5-6-8-19(18)27(20)4/h5-12H,13-14H2,1-4H3,(H,25,28)/b24-15+
InChIKeyZVCZXIFUACJSJJ-BUVRLJJBSA-N
XLogP2.12
TPSA88.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-1-(3,4-dichlorophenyl)ethylideneamino]-2-(1-methylbenzimidazol-2-yl)acetamide
CID 46804454
N-[(Z)-1-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 9315862
N-[(E)-1-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]ethylideneamino]quinoline-2-carboxamide
CID 46803724
N-[(Z)-1-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]ethylideneamino]-3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide
CID 9214116
N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-2-phenylacetamide
CID 5399435
N-[(Z)-1-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]ethylideneamino]-1H-pyrrole-2-carboxamide
CID 9026582
3-carbazol-9-yl-N-[1-(4-ethoxyphenyl)ethylideneamino]propanamide
CID 4304112
2-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-N,N-dimethylacetamide
CID 24701395
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propylideneamino]-2-(1-methylbenzimidazol-2-yl)acetamide
CID 71890767
2-(4-fluorophenoxy)-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide
CID 110712039
2-phenoxy-N-(1-phenylethylideneamino)acetamide
CID 3448907
4-[(E)-[[2-(1-methylbenzimidazol-2-yl)acetyl]hydrazinylidene]methyl]benzoic acid
CID 18267442

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]ethylideneamino]-2-(1-methylbenzimidazol-2-yl)acetamide?
The IUPAC name of N-[(E)-1-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]ethylideneamino]-2-(1-methylbenzimidazol-2-yl)acetamide (CID 55352920) is N-[(E)-1-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]ethylideneamino]-2-(1-methylbenzimidazol-2-yl)acetamide.
What is the SMILES notation for N-[(E)-1-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]ethylideneamino]-2-(1-methylbenzimidazol-2-yl)acetamide?
The canonical SMILES for N-[(E)-1-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]ethylideneamino]-2-(1-methylbenzimidazol-2-yl)acetamide is C/C(=N\NC(=O)Cc1nc2ccccc2n1C)c1ccc(OCC(=O)N(C)C)cc1.
What is the InChIKey of N-[(E)-1-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]ethylideneamino]-2-(1-methylbenzimidazol-2-yl)acetamide?
The InChIKey is ZVCZXIFUACJSJJ-BUVRLJJBSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-15(16-9-11-17(12-10-16)30-14-22(29)26(2)3)24-25-21(28)13-20-23-18-7-5-6-8-19(18)27(20)4/h5-12H,13-14H2,1-4H3,(H,25,28)/b24-15+.
What are the key properties of N-[(E)-1-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]ethylideneamino]-2-(1-methylbenzimidazol-2-yl)acetamide?
N-[(E)-1-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]ethylideneamino]-2-(1-methylbenzimidazol-2-yl)acetamide has a molecular weight of 407.47 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]ethylideneamino]-2-(1-methylbenzimidazol-2-yl)acetamide is sourced from PubChem (CID 55352920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).