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

C11H9N3OS — CID 30330205

IUPAC5-(2-methyl-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one
SMILESCc1nc(-c2ccc3[nH]c(=O)[nH]c3c2)cs1
InChIInChI=1S/C11H9N3OS/c1-6-12-10(5-16-6)7-2-3-8-9(4-7)14-11(15)13-8/h2-5H,1H3,(H2,13,14,15)
InChIKeyRARBTMQJMBPOEP-UHFFFAOYSA-N
MW231.28 g/mol
LogP2.29
Rot. Bonds1

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

5-(2-methyl-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one (PubChem CID 30330205) has the molecular formula C11H9N3OS and a molecular weight of 231.28 g/mol. Its IUPAC name is 5-(2-methyl-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-(2-methyl-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one
PubChem CID30330205
Molecular FormulaC11H9N3OS
Molecular Weight231.28 g/mol
Exact Mass231.05
IUPAC Name5-(2-methyl-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one
SMILESCc1nc(-c2ccc3[nH]c(=O)[nH]c3c2)cs1
InChIInChI=1S/C11H9N3OS/c1-6-12-10(5-16-6)7-2-3-8-9(4-7)14-11(15)13-8/h2-5H,1H3,(H2,13,14,15)
InChIKeyRARBTMQJMBPOEP-UHFFFAOYSA-N
XLogP2.29
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-(2-methyl-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one (CID 30330205) is 5-(2-methyl-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-(2-methyl-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-(2-methyl-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one is Cc1nc(-c2ccc3[nH]c(=O)[nH]c3c2)cs1.
What is the InChIKey of 5-(2-methyl-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is RARBTMQJMBPOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3OS/c1-6-12-10(5-16-6)7-2-3-8-9(4-7)14-11(15)13-8/h2-5H,1H3,(H2,13,14,15).
What are the key properties of 5-(2-methyl-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one?
5-(2-methyl-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 231.28 g/mol, XLogP of 2.29, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 30330205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).