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

C10H6ClN3OS — CID 116892313

IUPAC5-(4-chloro-1,3-thiazol-2-yl)-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(-c3nc(Cl)cs3)cc2[nH]1
InChIInChI=1S/C10H6ClN3OS/c11-8-4-16-9(14-8)5-1-2-6-7(3-5)13-10(15)12-6/h1-4H,(H2,12,13,15)
InChIKeyHRPNNOSUBFVOJL-UHFFFAOYSA-N
MW251.70 g/mol
LogP2.63
Rot. Bonds1

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

5-(4-chloro-1,3-thiazol-2-yl)-1,3-dihydrobenzimidazol-2-one (PubChem CID 116892313) has the molecular formula C10H6ClN3OS and a molecular weight of 251.70 g/mol. Its IUPAC name is 5-(4-chloro-1,3-thiazol-2-yl)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-(4-chloro-1,3-thiazol-2-yl)-1,3-dihydrobenzimidazol-2-one
PubChem CID116892313
Molecular FormulaC10H6ClN3OS
Molecular Weight251.70 g/mol
Exact Mass250.99
IUPAC Name5-(4-chloro-1,3-thiazol-2-yl)-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(-c3nc(Cl)cs3)cc2[nH]1
InChIInChI=1S/C10H6ClN3OS/c11-8-4-16-9(14-8)5-1-2-6-7(3-5)13-10(15)12-6/h1-4H,(H2,12,13,15)
InChIKeyHRPNNOSUBFVOJL-UHFFFAOYSA-N
XLogP2.63
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.70
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-1,3-thiazol-2-yl)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-(4-chloro-1,3-thiazol-2-yl)-1,3-dihydrobenzimidazol-2-one (CID 116892313) is 5-(4-chloro-1,3-thiazol-2-yl)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-(4-chloro-1,3-thiazol-2-yl)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-(4-chloro-1,3-thiazol-2-yl)-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2ccc(-c3nc(Cl)cs3)cc2[nH]1.
What is the InChIKey of 5-(4-chloro-1,3-thiazol-2-yl)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is HRPNNOSUBFVOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClN3OS/c11-8-4-16-9(14-8)5-1-2-6-7(3-5)13-10(15)12-6/h1-4H,(H2,12,13,15).
What are the key properties of 5-(4-chloro-1,3-thiazol-2-yl)-1,3-dihydrobenzimidazol-2-one?
5-(4-chloro-1,3-thiazol-2-yl)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 251.70 g/mol, XLogP of 2.63, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-1,3-thiazol-2-yl)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 116892313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).