N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]-9H-xanthene-9-carboxamide

C25H20N4O2 — CID 6092650

IUPACN-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]-9H-xanthene-9-carboxamide
SMILESC/C(=N/NC(=O)C1c2ccccc2Oc2ccccc21)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C25H20N4O2/c1-17(18-10-12-19(13-11-18)29-15-14-26-16-29)27-28-25(30)24-20-6-2-4-8-22(20)31-23-9-5-3-7-21(23)24/h2-16,24H,1H3,(H,28,30)/b27-17-
InChIKeyPYZJJVSDPCGYKP-PKAZHMFMSA-N
MW408.46 g/mol
LogP4.65
Rot. Bonds4

About N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]-9H-xanthene-9-carboxamide

N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]-9H-xanthene-9-carboxamide (PubChem CID 6092650) has the molecular formula C25H20N4O2 and a molecular weight of 408.46 g/mol. Its IUPAC name is N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]-9H-xanthene-9-carboxamide
PubChem CID6092650
Molecular FormulaC25H20N4O2
Molecular Weight408.46 g/mol
Exact Mass408.16
IUPAC NameN-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]-9H-xanthene-9-carboxamide
SMILESC/C(=N/NC(=O)C1c2ccccc2Oc2ccccc21)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C25H20N4O2/c1-17(18-10-12-19(13-11-18)29-15-14-26-16-29)27-28-25(30)24-20-6-2-4-8-22(20)31-23-9-5-3-7-21(23)24/h2-16,24H,1H3,(H,28,30)/b27-17-
InChIKeyPYZJJVSDPCGYKP-PKAZHMFMSA-N
XLogP4.65
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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
N-[(E)-1-(4-imidazol-1-ylphenyl)ethylideneamino]propanamide
CID 17250261
1-[(E)-1-(4-imidazol-1-ylphenyl)ethylideneamino]-3-phenylthiourea
CID 86577640
2-[2-[1-(4-imidazol-1-ylphenyl)ethylidene]hydrazinyl]benzoic acid
CID 4238759
5-[C-methyl-N-(9H-xanthene-9-carbonylamino)carbonimidoyl]thiophene-2-carboxylic acid
CID 1226415
N-[1-(4-imidazol-1-ylphenyl)ethylideneamino]-3,4-dimethoxybenzamide
CID 3484364
N-[1-(2,5-dimethylfuran-3-yl)ethylideneamino]-9H-xanthene-9-carboxamide
CID 1227717
1-[(E)-1-(4-imidazol-1-ylphenyl)ethylideneamino]-3-(oxolan-2-ylmethyl)thiourea
CID 18231112
1-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]-3-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 29227247
N-[(E)-1-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]ethylideneamino]-9H-xanthene-9-carboxamide
CID 17285222
[1-(4-imidazol-1-ylphenyl)ethylideneamino] N-phenylcarbamate
CID 1487834
4-amino-3,5,6-trichloro-N-[1-(4-imidazol-1-ylphenyl)ethylideneamino]pyridine-2-carboxamide
CID 5098964

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]-9H-xanthene-9-carboxamide?
The IUPAC name of N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]-9H-xanthene-9-carboxamide (CID 6092650) is N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]-9H-xanthene-9-carboxamide?
The canonical SMILES for N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]-9H-xanthene-9-carboxamide is C/C(=N/NC(=O)C1c2ccccc2Oc2ccccc21)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]-9H-xanthene-9-carboxamide?
The InChIKey is PYZJJVSDPCGYKP-PKAZHMFMSA-N. The full InChI is InChI=1S/C25H20N4O2/c1-17(18-10-12-19(13-11-18)29-15-14-26-16-29)27-28-25(30)24-20-6-2-4-8-22(20)31-23-9-5-3-7-21(23)24/h2-16,24H,1H3,(H,28,30)/b27-17-.
What are the key properties of N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]-9H-xanthene-9-carboxamide?
N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]-9H-xanthene-9-carboxamide has a molecular weight of 408.46 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]-9H-xanthene-9-carboxamide is sourced from PubChem (CID 6092650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).