1-[3-[(5-methylthiophen-2-yl)methylamino]phenyl]imidazolidin-2-one

C15H17N3OS — CID 43696383

IUPAC1-[3-[(5-methylthiophen-2-yl)methylamino]phenyl]imidazolidin-2-one
SMILESCc1ccc(CNc2cccc(N3CCNC3=O)c2)s1
InChIInChI=1S/C15H17N3OS/c1-11-5-6-14(20-11)10-17-12-3-2-4-13(9-12)18-8-7-16-15(18)19/h2-6,9,17H,7-8,10H2,1H3,(H,16,19)
InChIKeyAANIFCQYNPRRFU-UHFFFAOYSA-N
MW287.39 g/mol
LogP3.20
Rot. Bonds4

About 1-[3-[(5-methylthiophen-2-yl)methylamino]phenyl]imidazolidin-2-one

1-[3-[(5-methylthiophen-2-yl)methylamino]phenyl]imidazolidin-2-one (PubChem CID 43696383) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 1-[3-[(5-methylthiophen-2-yl)methylamino]phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[3-[(5-methylthiophen-2-yl)methylamino]phenyl]imidazolidin-2-one
PubChem CID43696383
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name1-[3-[(5-methylthiophen-2-yl)methylamino]phenyl]imidazolidin-2-one
SMILESCc1ccc(CNc2cccc(N3CCNC3=O)c2)s1
InChIInChI=1S/C15H17N3OS/c1-11-5-6-14(20-11)10-17-12-3-2-4-13(9-12)18-8-7-16-15(18)19/h2-6,9,17H,7-8,10H2,1H3,(H,16,19)
InChIKeyAANIFCQYNPRRFU-UHFFFAOYSA-N
XLogP3.20
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-methylthiophen-2-yl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]butanamide
CID 71861057
1-[3-[(3-methylphenyl)methylamino]phenyl]imidazolidin-2-one
CID 43696493
1-[3-[(5-chloro-1,3-thiazol-2-yl)methylamino]phenyl]imidazolidin-2-one
CID 104878813
N-[(5-methylthiophen-2-yl)methyl]-3-(1,2,4-triazol-4-yl)aniline
CID 43691900
1-[3-(pyrazin-2-ylmethylamino)phenyl]imidazolidin-2-one
CID 62761809
5-[[3-(2-oxoimidazolidin-1-yl)anilino]methyl]furan-2-carbonitrile
CID 115743185
N-[3-(2-oxoimidazolidin-1-yl)phenyl]acetamide
CID 47210940
3-chloro-2,2-dimethyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide
CID 63679045
2-(5-methylthiophen-2-yl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]acetamide
CID 47072523
1-[3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]phenyl]imidazolidin-2-one
CID 81401096
2-methyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]benzenesulfonamide
CID 110874034
(3R)-4,4,4-trifluoro-3-hydroxy-3-methyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]butanamide
CID 94799953

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(5-methylthiophen-2-yl)methylamino]phenyl]imidazolidin-2-one?
The IUPAC name of 1-[3-[(5-methylthiophen-2-yl)methylamino]phenyl]imidazolidin-2-one (CID 43696383) is 1-[3-[(5-methylthiophen-2-yl)methylamino]phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[3-[(5-methylthiophen-2-yl)methylamino]phenyl]imidazolidin-2-one?
The canonical SMILES for 1-[3-[(5-methylthiophen-2-yl)methylamino]phenyl]imidazolidin-2-one is Cc1ccc(CNc2cccc(N3CCNC3=O)c2)s1.
What is the InChIKey of 1-[3-[(5-methylthiophen-2-yl)methylamino]phenyl]imidazolidin-2-one?
The InChIKey is AANIFCQYNPRRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-11-5-6-14(20-11)10-17-12-3-2-4-13(9-12)18-8-7-16-15(18)19/h2-6,9,17H,7-8,10H2,1H3,(H,16,19).
What are the key properties of 1-[3-[(5-methylthiophen-2-yl)methylamino]phenyl]imidazolidin-2-one?
1-[3-[(5-methylthiophen-2-yl)methylamino]phenyl]imidazolidin-2-one has a molecular weight of 287.39 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(5-methylthiophen-2-yl)methylamino]phenyl]imidazolidin-2-one is sourced from PubChem (CID 43696383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).