5-(3-chlorophenyl)-3-(1-iodopiperidin-4-yl)-1H-imidazol-2-one

C14H15ClIN3O — CID 142061485

IUPAC5-(3-chlorophenyl)-3-(1-iodopiperidin-4-yl)-1H-imidazol-2-one
SMILESO=c1[nH]c(-c2cccc(Cl)c2)cn1C1CCN(I)CC1
InChIInChI=1S/C14H15ClIN3O/c15-11-3-1-2-10(8-11)13-9-19(14(20)17-13)12-4-6-18(16)7-5-12/h1-3,8-9,12H,4-7H2,(H,17,20)
InChIKeyYOHDYWLZXIFCPB-UHFFFAOYSA-N
MW403.65 g/mol
LogP3.48
Rot. Bonds2

About 5-(3-chlorophenyl)-3-(1-iodopiperidin-4-yl)-1H-imidazol-2-one

5-(3-chlorophenyl)-3-(1-iodopiperidin-4-yl)-1H-imidazol-2-one (PubChem CID 142061485) has the molecular formula C14H15ClIN3O and a molecular weight of 403.65 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-3-(1-iodopiperidin-4-yl)-1H-imidazol-2-one.

Molecular Properties

Compound Name5-(3-chlorophenyl)-3-(1-iodopiperidin-4-yl)-1H-imidazol-2-one
PubChem CID142061485
Molecular FormulaC14H15ClIN3O
Molecular Weight403.65 g/mol
Exact Mass402.99
IUPAC Name5-(3-chlorophenyl)-3-(1-iodopiperidin-4-yl)-1H-imidazol-2-one
SMILESO=c1[nH]c(-c2cccc(Cl)c2)cn1C1CCN(I)CC1
InChIInChI=1S/C14H15ClIN3O/c15-11-3-1-2-10(8-11)13-9-19(14(20)17-13)12-4-6-18(16)7-5-12/h1-3,8-9,12H,4-7H2,(H,17,20)
InChIKeyYOHDYWLZXIFCPB-UHFFFAOYSA-N
XLogP3.48
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.65
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

5-(4-chlorophenyl)-3-cyclopropyl-1H-imidazol-2-one
CID 68839579
5-phenyl-3-piperidin-4-yl-1H-imidazol-2-one;hydrochloride
CID 67344326
3-(1-methylpiperidin-1-ium-4-yl)-5-phenyl-1H-imidazol-2-one
CID 143670655
2-(3-chlorophenyl)-1H-imidazo[1,2-a]pyridin-5-one
CID 117133007
tert-butyl 4-(5-naphthalen-2-yl-2-oxo-1H-imidazol-3-yl)piperidine-1-carboxylate
CID 18321429
3-amino-6-(3-chlorophenyl)-1H-pyridin-2-one
CID 105476832
5-(3-chlorophenyl)-1H-pyrrol-2-amine
CID 117222744
5-(4-methoxyphenyl)-3-piperidin-4-yl-1H-imidazol-2-one
CID 18321473
N-[(3S)-1-(cyclopropylmethyl)-2-oxoazepan-3-yl]-4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxamide
CID 143085580
6-amino-4-(3-chlorophenyl)-1-cyclopropylpyridin-2-one
CID 18969140
N-[1-(cyclopropylmethyl)-5-(3-hydroxyphenyl)-2-oxo-3-pyridinyl]-4-(2-oxo-5-phenyl-1H-imidazol-3-yl)piperidine-1-carboxamide
CID 11849148
5,6-bis(3-chlorophenyl)-1,4-dihydropyrazine-2,3-dione
CID 132588453

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-3-(1-iodopiperidin-4-yl)-1H-imidazol-2-one?
The IUPAC name of 5-(3-chlorophenyl)-3-(1-iodopiperidin-4-yl)-1H-imidazol-2-one (CID 142061485) is 5-(3-chlorophenyl)-3-(1-iodopiperidin-4-yl)-1H-imidazol-2-one.
What is the SMILES notation for 5-(3-chlorophenyl)-3-(1-iodopiperidin-4-yl)-1H-imidazol-2-one?
The canonical SMILES for 5-(3-chlorophenyl)-3-(1-iodopiperidin-4-yl)-1H-imidazol-2-one is O=c1[nH]c(-c2cccc(Cl)c2)cn1C1CCN(I)CC1.
What is the InChIKey of 5-(3-chlorophenyl)-3-(1-iodopiperidin-4-yl)-1H-imidazol-2-one?
The InChIKey is YOHDYWLZXIFCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClIN3O/c15-11-3-1-2-10(8-11)13-9-19(14(20)17-13)12-4-6-18(16)7-5-12/h1-3,8-9,12H,4-7H2,(H,17,20).
What are the key properties of 5-(3-chlorophenyl)-3-(1-iodopiperidin-4-yl)-1H-imidazol-2-one?
5-(3-chlorophenyl)-3-(1-iodopiperidin-4-yl)-1H-imidazol-2-one has a molecular weight of 403.65 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-3-(1-iodopiperidin-4-yl)-1H-imidazol-2-one is sourced from PubChem (CID 142061485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).