N-[1,3-bis(2,4-dichlorophenyl)-2-imidazol-1-yloxypropylidene]hydroxylamine

C18H13Cl4N3O2 — CID 172687863

IUPACN-[1,3-bis(2,4-dichlorophenyl)-2-imidazol-1-yloxypropylidene]hydroxylamine
SMILESON=C(c1ccc(Cl)cc1Cl)C(Cc1ccc(Cl)cc1Cl)On1ccnc1
InChIInChI=1S/C18H13Cl4N3O2/c19-12-2-1-11(15(21)8-12)7-17(27-25-6-5-23-10-25)18(24-26)14-4-3-13(20)9-16(14)22/h1-6,8-10,17,26H,7H2
InChIKeyBGUQNHNFGXRVKM-UHFFFAOYSA-N
MW445.13 g/mol
LogP5.42
Rot. Bonds6

About N-[1,3-bis(2,4-dichlorophenyl)-2-imidazol-1-yloxypropylidene]hydroxylamine

N-[1,3-bis(2,4-dichlorophenyl)-2-imidazol-1-yloxypropylidene]hydroxylamine (PubChem CID 172687863) has the molecular formula C18H13Cl4N3O2 and a molecular weight of 445.13 g/mol. Its IUPAC name is N-[1,3-bis(2,4-dichlorophenyl)-2-imidazol-1-yloxypropylidene]hydroxylamine.

Molecular Properties

Compound NameN-[1,3-bis(2,4-dichlorophenyl)-2-imidazol-1-yloxypropylidene]hydroxylamine
PubChem CID172687863
Molecular FormulaC18H13Cl4N3O2
Molecular Weight445.13 g/mol
Exact Mass442.98
IUPAC NameN-[1,3-bis(2,4-dichlorophenyl)-2-imidazol-1-yloxypropylidene]hydroxylamine
SMILESON=C(c1ccc(Cl)cc1Cl)C(Cc1ccc(Cl)cc1Cl)On1ccnc1
InChIInChI=1S/C18H13Cl4N3O2/c19-12-2-1-11(15(21)8-12)7-17(27-25-6-5-23-10-25)18(24-26)14-4-3-13(20)9-16(14)22/h1-6,8-10,17,26H,7H2
InChIKeyBGUQNHNFGXRVKM-UHFFFAOYSA-N
XLogP5.42
TPSA59.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.13
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(NZ)-N-[1-(2,4-dichlorophenyl)-2,2-difluoroethylidene]hydroxylamine
CID 22769416
azonic acid;1-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methoxy]-2-imidazol-1-ylethanimine
CID 159230946
acetic acid;(Z)-1-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methoxy]-2-imidazol-1-ylethanimine
CID 129184950
1-[2-(2,4-dichlorophenyl)-1-[(2,6-dichlorophenyl)methoxy]ethyl]imidazole
CID 91216185
1,3-bis(2,4-dichlorophenyl)propan-2-ol
CID 63410533
2-(2,4-dichlorophenyl)-1-(3-methylimidazol-4-yl)ethanol
CID 66116714
1-[(E)-2-(2,4-dichlorophenyl)-3,3-dimethylbut-1-enyl]imidazole
CID 70462372
1-[2-[(2,4-dichlorophenyl)methylsulfanyl]phenyl]imidazole
CID 21481605
(2S)-3-(2,4-dichlorophenyl)-2-methoxypropanoic acid
CID 99924303
3-(2,4-dichlorophenyl)-2-phenoxypropanoic acid
CID 133245608
1-(2,4-dichlorophenyl)-2-imidazol-1-yl-N-prop-1-enoxyethanimine
CID 141174032
2-[4-(4-chlorophenyl)phenoxy]-1-(2,4-dichlorophenyl)-2-imidazol-1-ylethanone;hydrochloride
CID 131883283

Frequently Asked Questions

What is the IUPAC name of N-[1,3-bis(2,4-dichlorophenyl)-2-imidazol-1-yloxypropylidene]hydroxylamine?
The IUPAC name of N-[1,3-bis(2,4-dichlorophenyl)-2-imidazol-1-yloxypropylidene]hydroxylamine (CID 172687863) is N-[1,3-bis(2,4-dichlorophenyl)-2-imidazol-1-yloxypropylidene]hydroxylamine.
What is the SMILES notation for N-[1,3-bis(2,4-dichlorophenyl)-2-imidazol-1-yloxypropylidene]hydroxylamine?
The canonical SMILES for N-[1,3-bis(2,4-dichlorophenyl)-2-imidazol-1-yloxypropylidene]hydroxylamine is ON=C(c1ccc(Cl)cc1Cl)C(Cc1ccc(Cl)cc1Cl)On1ccnc1.
What is the InChIKey of N-[1,3-bis(2,4-dichlorophenyl)-2-imidazol-1-yloxypropylidene]hydroxylamine?
The InChIKey is BGUQNHNFGXRVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl4N3O2/c19-12-2-1-11(15(21)8-12)7-17(27-25-6-5-23-10-25)18(24-26)14-4-3-13(20)9-16(14)22/h1-6,8-10,17,26H,7H2.
What are the key properties of N-[1,3-bis(2,4-dichlorophenyl)-2-imidazol-1-yloxypropylidene]hydroxylamine?
N-[1,3-bis(2,4-dichlorophenyl)-2-imidazol-1-yloxypropylidene]hydroxylamine has a molecular weight of 445.13 g/mol, XLogP of 5.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,3-bis(2,4-dichlorophenyl)-2-imidazol-1-yloxypropylidene]hydroxylamine is sourced from PubChem (CID 172687863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).