1-(3-methyl-1,2-benzoxazol-6-yl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one

C17H16N4O2 — CID 59636184

IUPAC1-(3-methyl-1,2-benzoxazol-6-yl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one
SMILESCc1ccncc1N1CCN(c2ccc3c(C)noc3c2)C1=O
InChIInChI=1S/C17H16N4O2/c1-11-5-6-18-10-15(11)21-8-7-20(17(21)22)13-3-4-14-12(2)19-23-16(14)9-13/h3-6,9-10H,7-8H2,1-2H3
InChIKeyKMFDWGDCHCZPIC-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.29
Rot. Bonds2

About 1-(3-methyl-1,2-benzoxazol-6-yl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one

1-(3-methyl-1,2-benzoxazol-6-yl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one (PubChem CID 59636184) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 1-(3-methyl-1,2-benzoxazol-6-yl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(3-methyl-1,2-benzoxazol-6-yl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one
PubChem CID59636184
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name1-(3-methyl-1,2-benzoxazol-6-yl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one
SMILESCc1ccncc1N1CCN(c2ccc3c(C)noc3c2)C1=O
InChIInChI=1S/C17H16N4O2/c1-11-5-6-18-10-15(11)21-8-7-20(17(21)22)13-3-4-14-12(2)19-23-16(14)9-13/h3-6,9-10H,7-8H2,1-2H3
InChIKeyKMFDWGDCHCZPIC-UHFFFAOYSA-N
XLogP3.29
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1,2-benzoxazol-6-yl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one?
The IUPAC name of 1-(3-methyl-1,2-benzoxazol-6-yl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one (CID 59636184) is 1-(3-methyl-1,2-benzoxazol-6-yl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one.
What is the SMILES notation for 1-(3-methyl-1,2-benzoxazol-6-yl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one?
The canonical SMILES for 1-(3-methyl-1,2-benzoxazol-6-yl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one is Cc1ccncc1N1CCN(c2ccc3c(C)noc3c2)C1=O.
What is the InChIKey of 1-(3-methyl-1,2-benzoxazol-6-yl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one?
The InChIKey is KMFDWGDCHCZPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-11-5-6-18-10-15(11)21-8-7-20(17(21)22)13-3-4-14-12(2)19-23-16(14)9-13/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of 1-(3-methyl-1,2-benzoxazol-6-yl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one?
1-(3-methyl-1,2-benzoxazol-6-yl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one has a molecular weight of 308.34 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1,2-benzoxazol-6-yl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one is sourced from PubChem (CID 59636184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).