N-[1-(4-imidazol-1-ylphenyl)ethylideneamino]-3,4-dimethoxybenzamide

C20H20N4O3 — CID 3484364

IUPACN-[1-(4-imidazol-1-ylphenyl)ethylideneamino]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NN=C(C)c2ccc(-n3ccnc3)cc2)cc1OC
InChIInChI=1S/C20H20N4O3/c1-14(15-4-7-17(8-5-15)24-11-10-21-13-24)22-23-20(25)16-6-9-18(26-2)19(12-16)27-3/h4-13H,1-3H3,(H,23,25)
InChIKeyQEFXTIBCBGNUBK-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.04
Rot. Bonds6

About N-[1-(4-imidazol-1-ylphenyl)ethylideneamino]-3,4-dimethoxybenzamide

N-[1-(4-imidazol-1-ylphenyl)ethylideneamino]-3,4-dimethoxybenzamide (PubChem CID 3484364) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is N-[1-(4-imidazol-1-ylphenyl)ethylideneamino]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[1-(4-imidazol-1-ylphenyl)ethylideneamino]-3,4-dimethoxybenzamide
PubChem CID3484364
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC NameN-[1-(4-imidazol-1-ylphenyl)ethylideneamino]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NN=C(C)c2ccc(-n3ccnc3)cc2)cc1OC
InChIInChI=1S/C20H20N4O3/c1-14(15-4-7-17(8-5-15)24-11-10-21-13-24)22-23-20(25)16-6-9-18(26-2)19(12-16)27-3/h4-13H,1-3H3,(H,23,25)
InChIKeyQEFXTIBCBGNUBK-UHFFFAOYSA-N
XLogP3.04
TPSA77.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.04
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

methyl N-[1-(4-imidazol-1-ylphenyl)ethylideneamino]carbamate
CID 1471816
3,4-dimethoxy-N-[(Z)-1-(4-piperidin-1-ylphenyl)ethylideneamino]benzamide
CID 9232157
N-[(E)-1-(4-imidazol-1-ylphenyl)ethylideneamino]propanamide
CID 17250261
2-(2,4-dichlorophenoxy)-N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]acetamide
CID 9060430
N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-4-pyrrol-1-ylbenzamide
CID 135554267
N-[1-(3,4-dimethoxyphenyl)ethylideneamino]-4-fluorobenzamide
CID 3543843
4-[(4-ethoxyphenyl)sulfonylamino]-N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]benzamide
CID 6056611
N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]-3-morpholin-4-ylsulfonylbenzamide
CID 6092193
2-[4-[(Z)-N-[(3,4-dimethoxybenzoyl)amino]-C-methylcarbonimidoyl]phenoxy]acetic acid
CID 9232127
4-bromo-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]benzamide
CID 4085100
N-(1-pyridin-4-ylethylideneamino)-4-pyrrol-1-ylbenzamide
CID 3606783
3,4-dimethoxy-N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]benzamide
CID 6180512

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-imidazol-1-ylphenyl)ethylideneamino]-3,4-dimethoxybenzamide?
The IUPAC name of N-[1-(4-imidazol-1-ylphenyl)ethylideneamino]-3,4-dimethoxybenzamide (CID 3484364) is N-[1-(4-imidazol-1-ylphenyl)ethylideneamino]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[1-(4-imidazol-1-ylphenyl)ethylideneamino]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[1-(4-imidazol-1-ylphenyl)ethylideneamino]-3,4-dimethoxybenzamide is COc1ccc(C(=O)NN=C(C)c2ccc(-n3ccnc3)cc2)cc1OC.
What is the InChIKey of N-[1-(4-imidazol-1-ylphenyl)ethylideneamino]-3,4-dimethoxybenzamide?
The InChIKey is QEFXTIBCBGNUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-14(15-4-7-17(8-5-15)24-11-10-21-13-24)22-23-20(25)16-6-9-18(26-2)19(12-16)27-3/h4-13H,1-3H3,(H,23,25).
What are the key properties of N-[1-(4-imidazol-1-ylphenyl)ethylideneamino]-3,4-dimethoxybenzamide?
N-[1-(4-imidazol-1-ylphenyl)ethylideneamino]-3,4-dimethoxybenzamide has a molecular weight of 364.41 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-imidazol-1-ylphenyl)ethylideneamino]-3,4-dimethoxybenzamide is sourced from PubChem (CID 3484364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).