1-[2-[5-(3-methylthiophen-2-yl)-4-phenylimidazol-1-yl]ethyl]imidazolidin-2-one

C19H20N4OS — CID 50956740

IUPAC1-[2-[5-(3-methylthiophen-2-yl)-4-phenylimidazol-1-yl]ethyl]imidazolidin-2-one
SMILESCc1ccsc1-c1c(-c2ccccc2)ncn1CCN1CCNC1=O
InChIInChI=1S/C19H20N4OS/c1-14-7-12-25-18(14)17-16(15-5-3-2-4-6-15)21-13-23(17)11-10-22-9-8-20-19(22)24/h2-7,12-13H,8-11H2,1H3,(H,20,24)
InChIKeyLLUFAIQHXLPMPL-UHFFFAOYSA-N
MW352.46 g/mol
LogP3.61
Rot. Bonds5

About 1-[2-[5-(3-methylthiophen-2-yl)-4-phenylimidazol-1-yl]ethyl]imidazolidin-2-one

1-[2-[5-(3-methylthiophen-2-yl)-4-phenylimidazol-1-yl]ethyl]imidazolidin-2-one (PubChem CID 50956740) has the molecular formula C19H20N4OS and a molecular weight of 352.46 g/mol. Its IUPAC name is 1-[2-[5-(3-methylthiophen-2-yl)-4-phenylimidazol-1-yl]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[5-(3-methylthiophen-2-yl)-4-phenylimidazol-1-yl]ethyl]imidazolidin-2-one
PubChem CID50956740
Molecular FormulaC19H20N4OS
Molecular Weight352.46 g/mol
Exact Mass352.14
IUPAC Name1-[2-[5-(3-methylthiophen-2-yl)-4-phenylimidazol-1-yl]ethyl]imidazolidin-2-one
SMILESCc1ccsc1-c1c(-c2ccccc2)ncn1CCN1CCNC1=O
InChIInChI=1S/C19H20N4OS/c1-14-7-12-25-18(14)17-16(15-5-3-2-4-6-15)21-13-23(17)11-10-22-9-8-20-19(22)24/h2-7,12-13H,8-11H2,1H3,(H,20,24)
InChIKeyLLUFAIQHXLPMPL-UHFFFAOYSA-N
XLogP3.61
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-(3-methylthiophen-2-yl)-4-phenylimidazol-1-yl]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[5-(3-methylthiophen-2-yl)-4-phenylimidazol-1-yl]ethyl]imidazolidin-2-one (CID 50956740) is 1-[2-[5-(3-methylthiophen-2-yl)-4-phenylimidazol-1-yl]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[5-(3-methylthiophen-2-yl)-4-phenylimidazol-1-yl]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[5-(3-methylthiophen-2-yl)-4-phenylimidazol-1-yl]ethyl]imidazolidin-2-one is Cc1ccsc1-c1c(-c2ccccc2)ncn1CCN1CCNC1=O.
What is the InChIKey of 1-[2-[5-(3-methylthiophen-2-yl)-4-phenylimidazol-1-yl]ethyl]imidazolidin-2-one?
The InChIKey is LLUFAIQHXLPMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS/c1-14-7-12-25-18(14)17-16(15-5-3-2-4-6-15)21-13-23(17)11-10-22-9-8-20-19(22)24/h2-7,12-13H,8-11H2,1H3,(H,20,24).
What are the key properties of 1-[2-[5-(3-methylthiophen-2-yl)-4-phenylimidazol-1-yl]ethyl]imidazolidin-2-one?
1-[2-[5-(3-methylthiophen-2-yl)-4-phenylimidazol-1-yl]ethyl]imidazolidin-2-one has a molecular weight of 352.46 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-(3-methylthiophen-2-yl)-4-phenylimidazol-1-yl]ethyl]imidazolidin-2-one is sourced from PubChem (CID 50956740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).