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

C15H16N4OS — CID 17436336

IUPAC5-(2-piperidin-1-yl-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(-c3csc(N4CCCCC4)n3)cc2[nH]1
InChIInChI=1S/C15H16N4OS/c20-14-16-11-5-4-10(8-12(11)17-14)13-9-21-15(18-13)19-6-2-1-3-7-19/h4-5,8-9H,1-3,6-7H2,(H2,16,17,20)
InChIKeyFHHLQMQKDCUUBZ-UHFFFAOYSA-N
MW300.39 g/mol
LogP2.97
Rot. Bonds2

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

5-(2-piperidin-1-yl-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one (PubChem CID 17436336) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is 5-(2-piperidin-1-yl-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-(2-piperidin-1-yl-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one
PubChem CID17436336
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC Name5-(2-piperidin-1-yl-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(-c3csc(N4CCCCC4)n3)cc2[nH]1
InChIInChI=1S/C15H16N4OS/c20-14-16-11-5-4-10(8-12(11)17-14)13-9-21-15(18-13)19-6-2-1-3-7-19/h4-5,8-9H,1-3,6-7H2,(H2,16,17,20)
InChIKeyFHHLQMQKDCUUBZ-UHFFFAOYSA-N
XLogP2.97
TPSA64.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-piperidin-1-yl-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-(2-piperidin-1-yl-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one (CID 17436336) is 5-(2-piperidin-1-yl-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-(2-piperidin-1-yl-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-(2-piperidin-1-yl-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2ccc(-c3csc(N4CCCCC4)n3)cc2[nH]1.
What is the InChIKey of 5-(2-piperidin-1-yl-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is FHHLQMQKDCUUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c20-14-16-11-5-4-10(8-12(11)17-14)13-9-21-15(18-13)19-6-2-1-3-7-19/h4-5,8-9H,1-3,6-7H2,(H2,16,17,20).
What are the key properties of 5-(2-piperidin-1-yl-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one?
5-(2-piperidin-1-yl-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 300.39 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-piperidin-1-yl-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 17436336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).