1-[[4-bromo-5-(3-chlorophenyl)thiophen-2-yl]methyl]imidazolidin-4-one

C14H12BrClN2OS — CID 90843127

IUPAC1-[[4-bromo-5-(3-chlorophenyl)thiophen-2-yl]methyl]imidazolidin-4-one
SMILESO=C1CN(Cc2cc(Br)c(-c3cccc(Cl)c3)s2)CN1
InChIInChI=1S/C14H12BrClN2OS/c15-12-5-11(6-18-7-13(19)17-8-18)20-14(12)9-2-1-3-10(16)4-9/h1-5H,6-8H2,(H,17,19)
InChIKeyYXDPIPYPVIYTDS-UHFFFAOYSA-N
MW371.69 g/mol
LogP3.72
Rot. Bonds3

About 1-[[4-bromo-5-(3-chlorophenyl)thiophen-2-yl]methyl]imidazolidin-4-one

1-[[4-bromo-5-(3-chlorophenyl)thiophen-2-yl]methyl]imidazolidin-4-one (PubChem CID 90843127) has the molecular formula C14H12BrClN2OS and a molecular weight of 371.69 g/mol. Its IUPAC name is 1-[[4-bromo-5-(3-chlorophenyl)thiophen-2-yl]methyl]imidazolidin-4-one.

Molecular Properties

Compound Name1-[[4-bromo-5-(3-chlorophenyl)thiophen-2-yl]methyl]imidazolidin-4-one
PubChem CID90843127
Molecular FormulaC14H12BrClN2OS
Molecular Weight371.69 g/mol
Exact Mass369.95
IUPAC Name1-[[4-bromo-5-(3-chlorophenyl)thiophen-2-yl]methyl]imidazolidin-4-one
SMILESO=C1CN(Cc2cc(Br)c(-c3cccc(Cl)c3)s2)CN1
InChIInChI=1S/C14H12BrClN2OS/c15-12-5-11(6-18-7-13(19)17-8-18)20-14(12)9-2-1-3-10(16)4-9/h1-5H,6-8H2,(H,17,19)
InChIKeyYXDPIPYPVIYTDS-UHFFFAOYSA-N
XLogP3.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.69
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3-chlorophenyl)-5-[3-(trifluoromethoxy)phenyl]thiophene-2-carbonyl]imidazolidin-4-one
CID 46833795
1-[4-(3-chloro-5-fluorophenyl)-5-(3-chlorophenyl)-1,3-thiazole-2-carbonyl]imidazolidin-4-one
CID 50942916
2-chloro-4,5-bis(3-chlorophenyl)-1,3-thiazole
CID 21408778
4-[5-(3-chlorophenyl)-1,2-oxazole-3-carbonyl]piperazin-2-one
CID 37338263
2-(3-chlorophenyl)-4H-1,3,4-oxadiazin-5-one
CID 13365861
4-[3-(3-chlorophenoxy)propyl]piperazin-2-one
CID 47454012
4-[(2,6-dichlorophenyl)methyl]piperazin-2-one
CID 8962883
[5-(3-chlorophenyl)-4-methylthiophen-2-yl]-piperazin-1-ylmethanone;hydrochloride
CID 119400371
4-[4,5-bis(3-chlorophenyl)furan-2-carbonyl]piperazin-2-one
CID 58064791
6-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135942209
5-(3-chlorophenyl)-3,6-dihydro-1,3,4-oxadiazin-2-one
CID 13365909
4-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperazin-2-one
CID 8548455

Frequently Asked Questions

What is the IUPAC name of 1-[[4-bromo-5-(3-chlorophenyl)thiophen-2-yl]methyl]imidazolidin-4-one?
The IUPAC name of 1-[[4-bromo-5-(3-chlorophenyl)thiophen-2-yl]methyl]imidazolidin-4-one (CID 90843127) is 1-[[4-bromo-5-(3-chlorophenyl)thiophen-2-yl]methyl]imidazolidin-4-one.
What is the SMILES notation for 1-[[4-bromo-5-(3-chlorophenyl)thiophen-2-yl]methyl]imidazolidin-4-one?
The canonical SMILES for 1-[[4-bromo-5-(3-chlorophenyl)thiophen-2-yl]methyl]imidazolidin-4-one is O=C1CN(Cc2cc(Br)c(-c3cccc(Cl)c3)s2)CN1.
What is the InChIKey of 1-[[4-bromo-5-(3-chlorophenyl)thiophen-2-yl]methyl]imidazolidin-4-one?
The InChIKey is YXDPIPYPVIYTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2OS/c15-12-5-11(6-18-7-13(19)17-8-18)20-14(12)9-2-1-3-10(16)4-9/h1-5H,6-8H2,(H,17,19).
What are the key properties of 1-[[4-bromo-5-(3-chlorophenyl)thiophen-2-yl]methyl]imidazolidin-4-one?
1-[[4-bromo-5-(3-chlorophenyl)thiophen-2-yl]methyl]imidazolidin-4-one has a molecular weight of 371.69 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-bromo-5-(3-chlorophenyl)thiophen-2-yl]methyl]imidazolidin-4-one is sourced from PubChem (CID 90843127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).