1-[3-[[5-[(dimethylamino)methyl]-2-pyridinyl]amino]phenyl]-3-methylimidazolidin-2-one

C18H23N5O — CID 163311778

IUPAC1-[3-[[5-[(dimethylamino)methyl]-2-pyridinyl]amino]phenyl]-3-methylimidazolidin-2-one
SMILESCN(C)Cc1ccc(Nc2cccc(N3CCN(C)C3=O)c2)nc1
InChIInChI=1S/C18H23N5O/c1-21(2)13-14-7-8-17(19-12-14)20-15-5-4-6-16(11-15)23-10-9-22(3)18(23)24/h4-8,11-12H,9-10,13H2,1-3H3,(H,19,20)
InChIKeySIBUYRDGUSEDOA-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.76
Rot. Bonds5

About 1-[3-[[5-[(dimethylamino)methyl]-2-pyridinyl]amino]phenyl]-3-methylimidazolidin-2-one

1-[3-[[5-[(dimethylamino)methyl]-2-pyridinyl]amino]phenyl]-3-methylimidazolidin-2-one (PubChem CID 163311778) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 1-[3-[[5-[(dimethylamino)methyl]-2-pyridinyl]amino]phenyl]-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[3-[[5-[(dimethylamino)methyl]-2-pyridinyl]amino]phenyl]-3-methylimidazolidin-2-one
PubChem CID163311778
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name1-[3-[[5-[(dimethylamino)methyl]-2-pyridinyl]amino]phenyl]-3-methylimidazolidin-2-one
SMILESCN(C)Cc1ccc(Nc2cccc(N3CCN(C)C3=O)c2)nc1
InChIInChI=1S/C18H23N5O/c1-21(2)13-14-7-8-17(19-12-14)20-15-5-4-6-16(11-15)23-10-9-22(3)18(23)24/h4-8,11-12H,9-10,13H2,1-3H3,(H,19,20)
InChIKeySIBUYRDGUSEDOA-UHFFFAOYSA-N
XLogP2.76
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[[5-[(dimethylamino)methyl]-2-pyridinyl]amino]phenyl]-3-methylimidazolidin-2-one?
The IUPAC name of 1-[3-[[5-[(dimethylamino)methyl]-2-pyridinyl]amino]phenyl]-3-methylimidazolidin-2-one (CID 163311778) is 1-[3-[[5-[(dimethylamino)methyl]-2-pyridinyl]amino]phenyl]-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-[3-[[5-[(dimethylamino)methyl]-2-pyridinyl]amino]phenyl]-3-methylimidazolidin-2-one?
The canonical SMILES for 1-[3-[[5-[(dimethylamino)methyl]-2-pyridinyl]amino]phenyl]-3-methylimidazolidin-2-one is CN(C)Cc1ccc(Nc2cccc(N3CCN(C)C3=O)c2)nc1.
What is the InChIKey of 1-[3-[[5-[(dimethylamino)methyl]-2-pyridinyl]amino]phenyl]-3-methylimidazolidin-2-one?
The InChIKey is SIBUYRDGUSEDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-21(2)13-14-7-8-17(19-12-14)20-15-5-4-6-16(11-15)23-10-9-22(3)18(23)24/h4-8,11-12H,9-10,13H2,1-3H3,(H,19,20).
What are the key properties of 1-[3-[[5-[(dimethylamino)methyl]-2-pyridinyl]amino]phenyl]-3-methylimidazolidin-2-one?
1-[3-[[5-[(dimethylamino)methyl]-2-pyridinyl]amino]phenyl]-3-methylimidazolidin-2-one has a molecular weight of 325.42 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[5-[(dimethylamino)methyl]-2-pyridinyl]amino]phenyl]-3-methylimidazolidin-2-one is sourced from PubChem (CID 163311778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).