(NZ)-N-[(4-chlorophenyl)-[2-[3-(dimethylamino)propylsulfanyl]-3-methylimidazol-4-yl]methylidene]hydroxylamine

C16H21ClN4OS — CID 10291633

IUPAC(NZ)-N-[(4-chlorophenyl)-[2-[3-(dimethylamino)propylsulfanyl]-3-methylimidazol-4-yl]methylidene]hydroxylamine
SMILESCN(C)CCCSc1ncc(/C(=N\O)c2ccc(Cl)cc2)n1C
InChIInChI=1S/C16H21ClN4OS/c1-20(2)9-4-10-23-16-18-11-14(21(16)3)15(19-22)12-5-7-13(17)8-6-12/h5-8,11,22H,4,9-10H2,1-3H3/b19-15-
InChIKeySJGYKYIXSMGFNF-CYVLTUHYSA-N
MW352.89 g/mol
LogP3.34
Rot. Bonds7

About (NZ)-N-[(4-chlorophenyl)-[2-[3-(dimethylamino)propylsulfanyl]-3-methylimidazol-4-yl]methylidene]hydroxylamine

(NZ)-N-[(4-chlorophenyl)-[2-[3-(dimethylamino)propylsulfanyl]-3-methylimidazol-4-yl]methylidene]hydroxylamine (PubChem CID 10291633) has the molecular formula C16H21ClN4OS and a molecular weight of 352.89 g/mol. Its IUPAC name is (NZ)-N-[(4-chlorophenyl)-[2-[3-(dimethylamino)propylsulfanyl]-3-methylimidazol-4-yl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NZ)-N-[(4-chlorophenyl)-[2-[3-(dimethylamino)propylsulfanyl]-3-methylimidazol-4-yl]methylidene]hydroxylamine
PubChem CID10291633
Molecular FormulaC16H21ClN4OS
Molecular Weight352.89 g/mol
Exact Mass352.11
IUPAC Name(NZ)-N-[(4-chlorophenyl)-[2-[3-(dimethylamino)propylsulfanyl]-3-methylimidazol-4-yl]methylidene]hydroxylamine
SMILESCN(C)CCCSc1ncc(/C(=N\O)c2ccc(Cl)cc2)n1C
InChIInChI=1S/C16H21ClN4OS/c1-20(2)9-4-10-23-16-18-11-14(21(16)3)15(19-22)12-5-7-13(17)8-6-12/h5-8,11,22H,4,9-10H2,1-3H3/b19-15-
InChIKeySJGYKYIXSMGFNF-CYVLTUHYSA-N
XLogP3.34
TPSA53.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.89
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Clobenpropit
CID 2790
Clobenprobit
CID 53321919
6-(4-Chlorophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole
CID 333033
2-[5-(4-Chlorophenyl)-1-prop-2-enylimidazol-2-yl]sulfanylpropanamide
CID 4779876
3-(5-(4-chlorobenzyl)-1-methyl-1H-imidazol-2-ylthio)-N,N-dimethylpropan-1-amine
CID 11544339
3-(1H-imidazol-5-yl)propyl N-[(4-chlorophenyl)methyl]-N'-methylcarbamimidothioate
CID 10426315
3-(1H-imidazol-5-yl)propyl N'-[(4-chlorophenyl)methyl]-N-ethylcarbamimidothioate
CID 10427164
2-(5-(4-chlorobenzyl)-1-methyl-1H-imidazol-2-ylthio)-N,N-dimethylethanamine
CID 44571343
3-(1H-imidazol-5-yl)propyl N'-[2-(4-chlorophenyl)ethyl]carbamimidothioate;dihydrobromide
CID 49860094
3-(1H-imidazol-5-yl)propyl N-butyl-N'-[(4-chlorophenyl)methyl]carbamimidothioate;hydrobromide
CID 57397906
N-carbamoyl-2-[5-(4-chlorophenyl)-1-prop-2-enylimidazol-2-yl]sulfanylpropanamide
CID 4880631
5-(4-Chlorophenyl)-1-octylimidazol-2-amine
CID 50941027

Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(4-chlorophenyl)-[2-[3-(dimethylamino)propylsulfanyl]-3-methylimidazol-4-yl]methylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(4-chlorophenyl)-[2-[3-(dimethylamino)propylsulfanyl]-3-methylimidazol-4-yl]methylidene]hydroxylamine (CID 10291633) is (NZ)-N-[(4-chlorophenyl)-[2-[3-(dimethylamino)propylsulfanyl]-3-methylimidazol-4-yl]methylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(4-chlorophenyl)-[2-[3-(dimethylamino)propylsulfanyl]-3-methylimidazol-4-yl]methylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(4-chlorophenyl)-[2-[3-(dimethylamino)propylsulfanyl]-3-methylimidazol-4-yl]methylidene]hydroxylamine is CN(C)CCCSc1ncc(/C(=N\O)c2ccc(Cl)cc2)n1C.
What is the InChIKey of (NZ)-N-[(4-chlorophenyl)-[2-[3-(dimethylamino)propylsulfanyl]-3-methylimidazol-4-yl]methylidene]hydroxylamine?
The InChIKey is SJGYKYIXSMGFNF-CYVLTUHYSA-N. The full InChI is InChI=1S/C16H21ClN4OS/c1-20(2)9-4-10-23-16-18-11-14(21(16)3)15(19-22)12-5-7-13(17)8-6-12/h5-8,11,22H,4,9-10H2,1-3H3/b19-15-.
What are the key properties of (NZ)-N-[(4-chlorophenyl)-[2-[3-(dimethylamino)propylsulfanyl]-3-methylimidazol-4-yl]methylidene]hydroxylamine?
(NZ)-N-[(4-chlorophenyl)-[2-[3-(dimethylamino)propylsulfanyl]-3-methylimidazol-4-yl]methylidene]hydroxylamine has a molecular weight of 352.89 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(4-chlorophenyl)-[2-[3-(dimethylamino)propylsulfanyl]-3-methylimidazol-4-yl]methylidene]hydroxylamine is sourced from PubChem (CID 10291633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).