1-cyclopropyl-3-[2-[(3-methylthiophen-2-yl)methylamino]ethyl]imidazol-2-one

C14H19N3OS — CID 80582898

IUPAC1-cyclopropyl-3-[2-[(3-methylthiophen-2-yl)methylamino]ethyl]imidazol-2-one
SMILESCc1ccsc1CNCCn1ccn(C2CC2)c1=O
InChIInChI=1S/C14H19N3OS/c1-11-4-9-19-13(11)10-15-5-6-16-7-8-17(14(16)18)12-2-3-12/h4,7-9,12,15H,2-3,5-6,10H2,1H3
InChIKeyJHQBSTCCQNRGKB-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.14
Rot. Bonds6

About 1-cyclopropyl-3-[2-[(3-methylthiophen-2-yl)methylamino]ethyl]imidazol-2-one

1-cyclopropyl-3-[2-[(3-methylthiophen-2-yl)methylamino]ethyl]imidazol-2-one (PubChem CID 80582898) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 1-cyclopropyl-3-[2-[(3-methylthiophen-2-yl)methylamino]ethyl]imidazol-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-[2-[(3-methylthiophen-2-yl)methylamino]ethyl]imidazol-2-one
PubChem CID80582898
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name1-cyclopropyl-3-[2-[(3-methylthiophen-2-yl)methylamino]ethyl]imidazol-2-one
SMILESCc1ccsc1CNCCn1ccn(C2CC2)c1=O
InChIInChI=1S/C14H19N3OS/c1-11-4-9-19-13(11)10-15-5-6-16-7-8-17(14(16)18)12-2-3-12/h4,7-9,12,15H,2-3,5-6,10H2,1H3
InChIKeyJHQBSTCCQNRGKB-UHFFFAOYSA-N
XLogP2.14
TPSA38.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[2-[(3-methylthiophen-2-yl)methylamino]ethyl]imidazol-2-one?
The IUPAC name of 1-cyclopropyl-3-[2-[(3-methylthiophen-2-yl)methylamino]ethyl]imidazol-2-one (CID 80582898) is 1-cyclopropyl-3-[2-[(3-methylthiophen-2-yl)methylamino]ethyl]imidazol-2-one.
What is the SMILES notation for 1-cyclopropyl-3-[2-[(3-methylthiophen-2-yl)methylamino]ethyl]imidazol-2-one?
The canonical SMILES for 1-cyclopropyl-3-[2-[(3-methylthiophen-2-yl)methylamino]ethyl]imidazol-2-one is Cc1ccsc1CNCCn1ccn(C2CC2)c1=O.
What is the InChIKey of 1-cyclopropyl-3-[2-[(3-methylthiophen-2-yl)methylamino]ethyl]imidazol-2-one?
The InChIKey is JHQBSTCCQNRGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-11-4-9-19-13(11)10-15-5-6-16-7-8-17(14(16)18)12-2-3-12/h4,7-9,12,15H,2-3,5-6,10H2,1H3.
What are the key properties of 1-cyclopropyl-3-[2-[(3-methylthiophen-2-yl)methylamino]ethyl]imidazol-2-one?
1-cyclopropyl-3-[2-[(3-methylthiophen-2-yl)methylamino]ethyl]imidazol-2-one has a molecular weight of 277.39 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[2-[(3-methylthiophen-2-yl)methylamino]ethyl]imidazol-2-one is sourced from PubChem (CID 80582898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).