2-[4-[(Z)-benzimidazol-1-yliminomethyl]-2-ethoxyphenoxy]-1-piperidin-1-ylethanone

C23H26N4O3 — CID 9023964

IUPAC2-[4-[(Z)-benzimidazol-1-yliminomethyl]-2-ethoxyphenoxy]-1-piperidin-1-ylethanone
SMILESCCOc1cc(/C=N\n2cnc3ccccc32)ccc1OCC(=O)N1CCCCC1
InChIInChI=1S/C23H26N4O3/c1-2-29-22-14-18(15-25-27-17-24-19-8-4-5-9-20(19)27)10-11-21(22)30-16-23(28)26-12-6-3-7-13-26/h4-5,8-11,14-15,17H,2-3,6-7,12-13,16H2,1H3/b25-15-
InChIKeyBBVWPUYSPKSYCO-MYYYXRDXSA-N
MW406.49 g/mol
LogP3.71
Rot. Bonds7

About 2-[4-[(Z)-benzimidazol-1-yliminomethyl]-2-ethoxyphenoxy]-1-piperidin-1-ylethanone

2-[4-[(Z)-benzimidazol-1-yliminomethyl]-2-ethoxyphenoxy]-1-piperidin-1-ylethanone (PubChem CID 9023964) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 2-[4-[(Z)-benzimidazol-1-yliminomethyl]-2-ethoxyphenoxy]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-[(Z)-benzimidazol-1-yliminomethyl]-2-ethoxyphenoxy]-1-piperidin-1-ylethanone
PubChem CID9023964
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name2-[4-[(Z)-benzimidazol-1-yliminomethyl]-2-ethoxyphenoxy]-1-piperidin-1-ylethanone
SMILESCCOc1cc(/C=N\n2cnc3ccccc32)ccc1OCC(=O)N1CCCCC1
InChIInChI=1S/C23H26N4O3/c1-2-29-22-14-18(15-25-27-17-24-19-8-4-5-9-20(19)27)10-11-21(22)30-16-23(28)26-12-6-3-7-13-26/h4-5,8-11,14-15,17H,2-3,6-7,12-13,16H2,1H3/b25-15-
InChIKeyBBVWPUYSPKSYCO-MYYYXRDXSA-N
XLogP3.71
TPSA68.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[4-[(Z)-benzimidazol-1-yliminomethyl]-2-ethoxyphenoxy]-1-piperidin-1-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-ethoxy-4-[(E)-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)hydrazinylidene]methyl]phenoxy]-1-piperidin-1-ylethanone
CID 16555935
N-[6-(benzimidazol-1-yl)-3-pyridinyl]-3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 55581962
N-benzyl-N'-[(Z)-[3-ethoxy-4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide
CID 126165638
2-[4-(azocane-1-carbonyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone
CID 112793126
2-[2-ethoxy-4-[(E)-hydroxyiminomethyl]phenoxy]-1-morpholin-4-ylethanone
CID 91689789
3-[[3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]-2-phenylquinazolin-4-one
CID 126405385
N-cyclopropyl-N'-[(Z)-[3-ethoxy-4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide
CID 126267752
methyl 4-[[4-[(Z)-benzimidazol-1-yliminomethyl]-2-methoxyphenoxy]methyl]benzoate
CID 9023669
2-[4-(aminomethyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone
CID 28967218
1-[(Z)-[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylideneamino]-3-(2-methoxyethyl)thiourea
CID 7934486
N-(3,4-dimethylphenyl)-N'-[(Z)-[3-ethoxy-4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide
CID 126182097
[4-[(Z)-benzimidazol-1-yliminomethyl]-2,6-dimethoxyphenyl] acetate
CID 9023843

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(Z)-benzimidazol-1-yliminomethyl]-2-ethoxyphenoxy]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[4-[(Z)-benzimidazol-1-yliminomethyl]-2-ethoxyphenoxy]-1-piperidin-1-ylethanone (CID 9023964) is 2-[4-[(Z)-benzimidazol-1-yliminomethyl]-2-ethoxyphenoxy]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[4-[(Z)-benzimidazol-1-yliminomethyl]-2-ethoxyphenoxy]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[4-[(Z)-benzimidazol-1-yliminomethyl]-2-ethoxyphenoxy]-1-piperidin-1-ylethanone is CCOc1cc(/C=N\n2cnc3ccccc32)ccc1OCC(=O)N1CCCCC1.
What is the InChIKey of 2-[4-[(Z)-benzimidazol-1-yliminomethyl]-2-ethoxyphenoxy]-1-piperidin-1-ylethanone?
The InChIKey is BBVWPUYSPKSYCO-MYYYXRDXSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-2-29-22-14-18(15-25-27-17-24-19-8-4-5-9-20(19)27)10-11-21(22)30-16-23(28)26-12-6-3-7-13-26/h4-5,8-11,14-15,17H,2-3,6-7,12-13,16H2,1H3/b25-15-.
What are the key properties of 2-[4-[(Z)-benzimidazol-1-yliminomethyl]-2-ethoxyphenoxy]-1-piperidin-1-ylethanone?
2-[4-[(Z)-benzimidazol-1-yliminomethyl]-2-ethoxyphenoxy]-1-piperidin-1-ylethanone has a molecular weight of 406.49 g/mol, XLogP of 3.71, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(Z)-benzimidazol-1-yliminomethyl]-2-ethoxyphenoxy]-1-piperidin-1-ylethanone is sourced from PubChem (CID 9023964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).