2-(benzimidazol-1-yl)-N-[(Z)-1-[3-(diethylaminomethyl)-4-methoxyphenyl]ethylideneamino]acetamide

C23H29N5O2 — CID 9121111

IUPAC2-(benzimidazol-1-yl)-N-[(Z)-1-[3-(diethylaminomethyl)-4-methoxyphenyl]ethylideneamino]acetamide
SMILESCCN(CC)Cc1cc(/C(C)=N\NC(=O)Cn2cnc3ccccc32)ccc1OC
InChIInChI=1S/C23H29N5O2/c1-5-27(6-2)14-19-13-18(11-12-22(19)30-4)17(3)25-26-23(29)15-28-16-24-20-9-7-8-10-21(20)28/h7-13,16H,5-6,14-15H2,1-4H3,(H,26,29)/b25-17-
InChIKeyOTDJUKMOZLHXSR-UQQQWYQISA-N
MW407.52 g/mol
LogP3.43
Rot. Bonds9

About 2-(benzimidazol-1-yl)-N-[(Z)-1-[3-(diethylaminomethyl)-4-methoxyphenyl]ethylideneamino]acetamide

2-(benzimidazol-1-yl)-N-[(Z)-1-[3-(diethylaminomethyl)-4-methoxyphenyl]ethylideneamino]acetamide (PubChem CID 9121111) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-[(Z)-1-[3-(diethylaminomethyl)-4-methoxyphenyl]ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-[(Z)-1-[3-(diethylaminomethyl)-4-methoxyphenyl]ethylideneamino]acetamide
PubChem CID9121111
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC Name2-(benzimidazol-1-yl)-N-[(Z)-1-[3-(diethylaminomethyl)-4-methoxyphenyl]ethylideneamino]acetamide
SMILESCCN(CC)Cc1cc(/C(C)=N\NC(=O)Cn2cnc3ccccc32)ccc1OC
InChIInChI=1S/C23H29N5O2/c1-5-27(6-2)14-19-13-18(11-12-22(19)30-4)17(3)25-26-23(29)15-28-16-24-20-9-7-8-10-21(20)28/h7-13,16H,5-6,14-15H2,1-4H3,(H,26,29)/b25-17-
InChIKeyOTDJUKMOZLHXSR-UQQQWYQISA-N
XLogP3.43
TPSA71.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 53.43
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

2-(benzimidazol-1-yl)-N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]acetamide
CID 9121106
2-(benzimidazol-1-yl)-N-[(E)-(3-hydroxy-4-methoxyphenyl)methylideneamino]acetamide
CID 17086257
N-[(Z)-1-[3-(diethylaminomethyl)-4-methoxyphenyl]ethylideneamino]-4-fluorobenzamide
CID 9016645
N-[(Z)-1-[3-(diethylaminomethyl)-4-methoxyphenyl]ethylideneamino]-2-fluorobenzamide
CID 9235818
2-(benzimidazol-1-yl)-N-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]acetamide
CID 9121197
2-(benzotriazol-1-yl)-N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]acetamide
CID 4259010
2-(benzimidazol-1-yl)-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]acetamide
CID 9121210
2-(benzimidazol-1-yl)-N-[(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 1184903
2-(benzimidazol-1-yl)-N-[(Z)-1-(4-chlorophenyl)propylideneamino]acetamide
CID 9121198
2-(benzimidazol-1-yl)-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide
CID 5395231
2-(benzimidazol-1-yl)-N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]acetamide
CID 135816002
2-(benzimidazol-1-yl)-N-[(E)-(2-methyl-1-phenylpropylidene)amino]acetamide
CID 17086275

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-[(Z)-1-[3-(diethylaminomethyl)-4-methoxyphenyl]ethylideneamino]acetamide?
The IUPAC name of 2-(benzimidazol-1-yl)-N-[(Z)-1-[3-(diethylaminomethyl)-4-methoxyphenyl]ethylideneamino]acetamide (CID 9121111) is 2-(benzimidazol-1-yl)-N-[(Z)-1-[3-(diethylaminomethyl)-4-methoxyphenyl]ethylideneamino]acetamide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-[(Z)-1-[3-(diethylaminomethyl)-4-methoxyphenyl]ethylideneamino]acetamide?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-[(Z)-1-[3-(diethylaminomethyl)-4-methoxyphenyl]ethylideneamino]acetamide is CCN(CC)Cc1cc(/C(C)=N\NC(=O)Cn2cnc3ccccc32)ccc1OC.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-[(Z)-1-[3-(diethylaminomethyl)-4-methoxyphenyl]ethylideneamino]acetamide?
The InChIKey is OTDJUKMOZLHXSR-UQQQWYQISA-N. The full InChI is InChI=1S/C23H29N5O2/c1-5-27(6-2)14-19-13-18(11-12-22(19)30-4)17(3)25-26-23(29)15-28-16-24-20-9-7-8-10-21(20)28/h7-13,16H,5-6,14-15H2,1-4H3,(H,26,29)/b25-17-.
What are the key properties of 2-(benzimidazol-1-yl)-N-[(Z)-1-[3-(diethylaminomethyl)-4-methoxyphenyl]ethylideneamino]acetamide?
2-(benzimidazol-1-yl)-N-[(Z)-1-[3-(diethylaminomethyl)-4-methoxyphenyl]ethylideneamino]acetamide has a molecular weight of 407.52 g/mol, XLogP of 3.43, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-N-[(Z)-1-[3-(diethylaminomethyl)-4-methoxyphenyl]ethylideneamino]acetamide is sourced from PubChem (CID 9121111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).