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

C10H6ClN3OS — CID 116968122

IUPAC5-(2-chloro-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(-c3csc(Cl)n3)cc2[nH]1
InChIInChI=1S/C10H6ClN3OS/c11-9-12-8(4-16-9)5-1-2-6-7(3-5)14-10(15)13-6/h1-4H,(H2,13,14,15)
InChIKeyCZGHPGFQWPRVTJ-UHFFFAOYSA-N
MW251.70 g/mol
LogP2.63
Rot. Bonds1

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

5-(2-chloro-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one (PubChem CID 116968122) has the molecular formula C10H6ClN3OS and a molecular weight of 251.70 g/mol. Its IUPAC name is 5-(2-chloro-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-(2-chloro-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one
PubChem CID116968122
Molecular FormulaC10H6ClN3OS
Molecular Weight251.70 g/mol
Exact Mass250.99
IUPAC Name5-(2-chloro-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(-c3csc(Cl)n3)cc2[nH]1
InChIInChI=1S/C10H6ClN3OS/c11-9-12-8(4-16-9)5-1-2-6-7(3-5)14-10(15)13-6/h1-4H,(H2,13,14,15)
InChIKeyCZGHPGFQWPRVTJ-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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Related Compounds

5-(4-chloro-1,3-thiazol-2-yl)-1,3-dihydrobenzimidazol-2-one
CID 116892313
5-[2-(2-hydroxyethyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one
CID 116867771
5-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one
CID 71870436
6-(2-chloro-1,3-thiazol-4-yl)-4H-1,4-benzoxazin-3-one
CID 116968112
5-(4-methoxy-1,3-thiazol-2-yl)-1,3-dihydrobenzimidazol-2-one
CID 116891819
5-[2-(1-phenylethylamino)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one
CID 42914895
2-chloro-4-(6-chloro-3-pyridinyl)-1,3-thiazole
CID 173285158
5-[2-(3-fluoro-4-methylanilino)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one
CID 24505655
5-(5-chloro-3-methyl-1,2,4-triazin-6-yl)-1,3-dihydrobenzimidazol-2-one
CID 116823361
6-(2-amino-1,3-thiazol-4-yl)-3H-1,3-benzoxazol-2-one
CID 22693688
5-(2-bromo-1,3-thiazol-4-yl)-3H-1,3-benzoxazol-2-one
CID 116968071
5-(5-chloro-1,2,4-triazin-6-yl)-1,3-dihydrobenzimidazol-2-one
CID 116822901

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-(2-chloro-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one (CID 116968122) is 5-(2-chloro-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-(2-chloro-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-(2-chloro-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2ccc(-c3csc(Cl)n3)cc2[nH]1.
What is the InChIKey of 5-(2-chloro-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is CZGHPGFQWPRVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClN3OS/c11-9-12-8(4-16-9)5-1-2-6-7(3-5)14-10(15)13-6/h1-4H,(H2,13,14,15).
What are the key properties of 5-(2-chloro-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one?
5-(2-chloro-1,3-thiazol-4-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-(2-chloro-1,3-thiazol-4-yl)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 116968122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).