3-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]benzimidazol-5-ol

C16H10ClN3OS — CID 141266607

IUPAC3-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]benzimidazol-5-ol
SMILESOc1ccc2ncn(-c3nc(-c4cccc(Cl)c4)cs3)c2c1
InChIInChI=1S/C16H10ClN3OS/c17-11-3-1-2-10(6-11)14-8-22-16(19-14)20-9-18-13-5-4-12(21)7-15(13)20/h1-9,21H
InChIKeyQXTZMHRBEZXQBK-UHFFFAOYSA-N
MW327.80 g/mol
LogP4.51
Rot. Bonds2

About 3-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]benzimidazol-5-ol

3-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]benzimidazol-5-ol (PubChem CID 141266607) has the molecular formula C16H10ClN3OS and a molecular weight of 327.80 g/mol. Its IUPAC name is 3-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]benzimidazol-5-ol.

Molecular Properties

Compound Name3-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]benzimidazol-5-ol
PubChem CID141266607
Molecular FormulaC16H10ClN3OS
Molecular Weight327.80 g/mol
Exact Mass327.02
IUPAC Name3-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]benzimidazol-5-ol
SMILESOc1ccc2ncn(-c3nc(-c4cccc(Cl)c4)cs3)c2c1
InChIInChI=1S/C16H10ClN3OS/c17-11-3-1-2-10(6-11)14-8-22-16(19-14)20-9-18-13-5-4-12(21)7-15(13)20/h1-9,21H
InChIKeyQXTZMHRBEZXQBK-UHFFFAOYSA-N
XLogP4.51
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.80
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]benzimidazol-5-ol?
The IUPAC name of 3-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]benzimidazol-5-ol (CID 141266607) is 3-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]benzimidazol-5-ol.
What is the SMILES notation for 3-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]benzimidazol-5-ol?
The canonical SMILES for 3-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]benzimidazol-5-ol is Oc1ccc2ncn(-c3nc(-c4cccc(Cl)c4)cs3)c2c1.
What is the InChIKey of 3-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]benzimidazol-5-ol?
The InChIKey is QXTZMHRBEZXQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClN3OS/c17-11-3-1-2-10(6-11)14-8-22-16(19-14)20-9-18-13-5-4-12(21)7-15(13)20/h1-9,21H.
What are the key properties of 3-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]benzimidazol-5-ol?
3-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]benzimidazol-5-ol has a molecular weight of 327.80 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]benzimidazol-5-ol is sourced from PubChem (CID 141266607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).