1-methyl-3-[4-(1,3-thiazol-2-yl)phenyl]-4,5-dihydrobenzimidazol-2-one

C17H15N3OS — CID 167056340

IUPAC1-methyl-3-[4-(1,3-thiazol-2-yl)phenyl]-4,5-dihydrobenzimidazol-2-one
SMILESCn1c2c(n(-c3ccc(-c4nccs4)cc3)c1=O)CCC=C2
InChIInChI=1S/C17H15N3OS/c1-19-14-4-2-3-5-15(14)20(17(19)21)13-8-6-12(7-9-13)16-18-10-11-22-16/h2,4,6-11H,3,5H2,1H3
InChIKeyNHQBOPIBVGXFJY-UHFFFAOYSA-N
MW309.39 g/mol
LogP3.26
Rot. Bonds2

About 1-methyl-3-[4-(1,3-thiazol-2-yl)phenyl]-4,5-dihydrobenzimidazol-2-one

1-methyl-3-[4-(1,3-thiazol-2-yl)phenyl]-4,5-dihydrobenzimidazol-2-one (PubChem CID 167056340) has the molecular formula C17H15N3OS and a molecular weight of 309.39 g/mol. Its IUPAC name is 1-methyl-3-[4-(1,3-thiazol-2-yl)phenyl]-4,5-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name1-methyl-3-[4-(1,3-thiazol-2-yl)phenyl]-4,5-dihydrobenzimidazol-2-one
PubChem CID167056340
Molecular FormulaC17H15N3OS
Molecular Weight309.39 g/mol
Exact Mass309.09
IUPAC Name1-methyl-3-[4-(1,3-thiazol-2-yl)phenyl]-4,5-dihydrobenzimidazol-2-one
SMILESCn1c2c(n(-c3ccc(-c4nccs4)cc3)c1=O)CCC=C2
InChIInChI=1S/C17H15N3OS/c1-19-14-4-2-3-5-15(14)20(17(19)21)13-8-6-12(7-9-13)16-18-10-11-22-16/h2,4,6-11H,3,5H2,1H3
InChIKeyNHQBOPIBVGXFJY-UHFFFAOYSA-N
XLogP3.26
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[4-(1,3-thiazol-2-yl)phenyl]-4,5-dihydrobenzimidazol-2-one?
The IUPAC name of 1-methyl-3-[4-(1,3-thiazol-2-yl)phenyl]-4,5-dihydrobenzimidazol-2-one (CID 167056340) is 1-methyl-3-[4-(1,3-thiazol-2-yl)phenyl]-4,5-dihydrobenzimidazol-2-one.
What is the SMILES notation for 1-methyl-3-[4-(1,3-thiazol-2-yl)phenyl]-4,5-dihydrobenzimidazol-2-one?
The canonical SMILES for 1-methyl-3-[4-(1,3-thiazol-2-yl)phenyl]-4,5-dihydrobenzimidazol-2-one is Cn1c2c(n(-c3ccc(-c4nccs4)cc3)c1=O)CCC=C2.
What is the InChIKey of 1-methyl-3-[4-(1,3-thiazol-2-yl)phenyl]-4,5-dihydrobenzimidazol-2-one?
The InChIKey is NHQBOPIBVGXFJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3OS/c1-19-14-4-2-3-5-15(14)20(17(19)21)13-8-6-12(7-9-13)16-18-10-11-22-16/h2,4,6-11H,3,5H2,1H3.
What are the key properties of 1-methyl-3-[4-(1,3-thiazol-2-yl)phenyl]-4,5-dihydrobenzimidazol-2-one?
1-methyl-3-[4-(1,3-thiazol-2-yl)phenyl]-4,5-dihydrobenzimidazol-2-one has a molecular weight of 309.39 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[4-(1,3-thiazol-2-yl)phenyl]-4,5-dihydrobenzimidazol-2-one is sourced from PubChem (CID 167056340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).