1-[(3-methyl-4-pyridinyl)methyl]imidazolidin-2-one

C10H13N3O — CID 114702369

IUPAC1-[(3-methyl-4-pyridinyl)methyl]imidazolidin-2-one
SMILESCc1cnccc1CN1CCNC1=O
InChIInChI=1S/C10H13N3O/c1-8-6-11-3-2-9(8)7-13-5-4-12-10(13)14/h2-3,6H,4-5,7H2,1H3,(H,12,14)
InChIKeyVMPCPFGQEKNNQU-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.92
Rot. Bonds2

About 1-[(3-methyl-4-pyridinyl)methyl]imidazolidin-2-one

1-[(3-methyl-4-pyridinyl)methyl]imidazolidin-2-one (PubChem CID 114702369) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 1-[(3-methyl-4-pyridinyl)methyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(3-methyl-4-pyridinyl)methyl]imidazolidin-2-one
PubChem CID114702369
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name1-[(3-methyl-4-pyridinyl)methyl]imidazolidin-2-one
SMILESCc1cnccc1CN1CCNC1=O
InChIInChI=1S/C10H13N3O/c1-8-6-11-3-2-9(8)7-13-5-4-12-10(13)14/h2-3,6H,4-5,7H2,1H3,(H,12,14)
InChIKeyVMPCPFGQEKNNQU-UHFFFAOYSA-N
XLogP0.92
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(3-methyl-4-pyridinyl)methyl]imidazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-4-pyridinyl)methyl]imidazolidin-2-one?
The IUPAC name of 1-[(3-methyl-4-pyridinyl)methyl]imidazolidin-2-one (CID 114702369) is 1-[(3-methyl-4-pyridinyl)methyl]imidazolidin-2-one.
What is the SMILES notation for 1-[(3-methyl-4-pyridinyl)methyl]imidazolidin-2-one?
The canonical SMILES for 1-[(3-methyl-4-pyridinyl)methyl]imidazolidin-2-one is Cc1cnccc1CN1CCNC1=O.
What is the InChIKey of 1-[(3-methyl-4-pyridinyl)methyl]imidazolidin-2-one?
The InChIKey is VMPCPFGQEKNNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-8-6-11-3-2-9(8)7-13-5-4-12-10(13)14/h2-3,6H,4-5,7H2,1H3,(H,12,14).
What are the key properties of 1-[(3-methyl-4-pyridinyl)methyl]imidazolidin-2-one?
1-[(3-methyl-4-pyridinyl)methyl]imidazolidin-2-one has a molecular weight of 191.23 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyl-4-pyridinyl)methyl]imidazolidin-2-one is sourced from PubChem (CID 114702369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).