N-[(Z)-1-[4-[4-[(Z)-N-(4,5-dihydro-1H-imidazol-2-ylamino)-C-methylcarbonimidoyl]phenoxy]phenyl]ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine

C22H26N8O — CID 110177423

IUPACN-[(Z)-1-[4-[4-[(Z)-N-(4,5-dihydro-1H-imidazol-2-ylamino)-C-methylcarbonimidoyl]phenoxy]phenyl]ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine
SMILESC/C(=N/NC1=NCCN1)c1ccc(Oc2ccc(/C(C)=N\NC3=NCCN3)cc2)cc1
InChIInChI=1S/C22H26N8O/c1-15(27-29-21-23-11-12-24-21)17-3-7-19(8-4-17)31-20-9-5-18(6-10-20)16(2)28-30-22-25-13-14-26-22/h3-10H,11-14H2,1-2H3,(H2,23,24,29)(H2,25,26,30)/b27-15-,28-16-
InChIKeyYOKWZPKWXQZWKS-USYBVIFISA-N
MW418.51 g/mol
LogP2.02
Rot. Bonds6

About N-[(Z)-1-[4-[4-[(Z)-N-(4,5-dihydro-1H-imidazol-2-ylamino)-C-methylcarbonimidoyl]phenoxy]phenyl]ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine

N-[(Z)-1-[4-[4-[(Z)-N-(4,5-dihydro-1H-imidazol-2-ylamino)-C-methylcarbonimidoyl]phenoxy]phenyl]ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 110177423) has the molecular formula C22H26N8O and a molecular weight of 418.51 g/mol. Its IUPAC name is N-[(Z)-1-[4-[4-[(Z)-N-(4,5-dihydro-1H-imidazol-2-ylamino)-C-methylcarbonimidoyl]phenoxy]phenyl]ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[(Z)-1-[4-[4-[(Z)-N-(4,5-dihydro-1H-imidazol-2-ylamino)-C-methylcarbonimidoyl]phenoxy]phenyl]ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine
PubChem CID110177423
Molecular FormulaC22H26N8O
Molecular Weight418.51 g/mol
Exact Mass418.22
IUPAC NameN-[(Z)-1-[4-[4-[(Z)-N-(4,5-dihydro-1H-imidazol-2-ylamino)-C-methylcarbonimidoyl]phenoxy]phenyl]ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine
SMILESC/C(=N/NC1=NCCN1)c1ccc(Oc2ccc(/C(C)=N\NC3=NCCN3)cc2)cc1
InChIInChI=1S/C22H26N8O/c1-15(27-29-21-23-11-12-24-21)17-3-7-19(8-4-17)31-20-9-5-18(6-10-20)16(2)28-30-22-25-13-14-26-22/h3-10H,11-14H2,1-2H3,(H2,23,24,29)(H2,25,26,30)/b27-15-,28-16-
InChIKeyYOKWZPKWXQZWKS-USYBVIFISA-N
XLogP2.02
TPSA106.79 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.51
LogP ≤ 52.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze N-[(Z)-1-[4-[4-[(Z)-N-(4,5-dihydro-1H-imidazol-2-ylamino)-C-methylcarbonimidoyl]phenoxy]phenyl]ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine with MolForge

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Related Compounds

1-(4-acetylphenyl)-3-[4-[(Z)-N-(4,5-dihydro-1H-imidazol-2-ylamino)-C-methylcarbonimidoyl]phenyl]urea
CID 91194041
N-[1-[6-[N-(4,5-dihydro-1H-imidazol-2-ylamino)-C-methylcarbonimidoyl]-2-pyridinyl]ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine
CID 171131715
4-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)benzenecarbohydrazonoyl chloride
CID 131877341
N-[1-(5-bromo-2-ethoxyphenyl)ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine
CID 911359
4-[N-(4,5-dihydro-1H-imidazol-2-ylamino)-C-(2-hydroxyethyl)carbonimidoyl]benzoic acid
CID 20981126
N-[4-[N-(4,5-dihydro-1H-imidazol-2-ylamino)-C-methylcarbonimidoyl]phenyl]-7-nitro-1H-indole-2-carboxamide
CID 74390171
2-[(E)-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]-4-methoxyphenol
CID 135636667
N-[(E)-[(2Z)-2-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)ethylidene]amino]-4,5-dihydro-1H-imidazol-2-amine
CID 98561244
4-methoxy-N-[(E)-1-[4-[4-[(E)-N-(4-methoxyanilino)-C-methylcarbonimidoyl]phenyl]phenyl]ethylideneamino]aniline
CID 146304253
N-[(Z)-1-(4-pentoxyphenyl)ethylideneamino]-4,5-dihydro-1H-imidazol-3-ium-2-amine
CID 135858999
[3-(4,5-dihydro-1H-imidazol-2-ylhydrazinylidene)-7-methyl-1,2-dihydroinden-4-yl] acetate
CID 70619508
N-[(Z)-1-(4-phenoxyphenyl)ethylideneamino]benzamide
CID 5418111

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-[4-[4-[(Z)-N-(4,5-dihydro-1H-imidazol-2-ylamino)-C-methylcarbonimidoyl]phenoxy]phenyl]ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-[(Z)-1-[4-[4-[(Z)-N-(4,5-dihydro-1H-imidazol-2-ylamino)-C-methylcarbonimidoyl]phenoxy]phenyl]ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine (CID 110177423) is N-[(Z)-1-[4-[4-[(Z)-N-(4,5-dihydro-1H-imidazol-2-ylamino)-C-methylcarbonimidoyl]phenoxy]phenyl]ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-[(Z)-1-[4-[4-[(Z)-N-(4,5-dihydro-1H-imidazol-2-ylamino)-C-methylcarbonimidoyl]phenoxy]phenyl]ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-[(Z)-1-[4-[4-[(Z)-N-(4,5-dihydro-1H-imidazol-2-ylamino)-C-methylcarbonimidoyl]phenoxy]phenyl]ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine is C/C(=N/NC1=NCCN1)c1ccc(Oc2ccc(/C(C)=N\NC3=NCCN3)cc2)cc1.
What is the InChIKey of N-[(Z)-1-[4-[4-[(Z)-N-(4,5-dihydro-1H-imidazol-2-ylamino)-C-methylcarbonimidoyl]phenoxy]phenyl]ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is YOKWZPKWXQZWKS-USYBVIFISA-N. The full InChI is InChI=1S/C22H26N8O/c1-15(27-29-21-23-11-12-24-21)17-3-7-19(8-4-17)31-20-9-5-18(6-10-20)16(2)28-30-22-25-13-14-26-22/h3-10H,11-14H2,1-2H3,(H2,23,24,29)(H2,25,26,30)/b27-15-,28-16-.
What are the key properties of N-[(Z)-1-[4-[4-[(Z)-N-(4,5-dihydro-1H-imidazol-2-ylamino)-C-methylcarbonimidoyl]phenoxy]phenyl]ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine?
N-[(Z)-1-[4-[4-[(Z)-N-(4,5-dihydro-1H-imidazol-2-ylamino)-C-methylcarbonimidoyl]phenoxy]phenyl]ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 418.51 g/mol, XLogP of 2.02, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-[4-[4-[(Z)-N-(4,5-dihydro-1H-imidazol-2-ylamino)-C-methylcarbonimidoyl]phenoxy]phenyl]ethylideneamino]-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 110177423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).