4-[6-[(2-chlorophenyl)methylsulfonyl]-1H-benzimidazol-2-yl]-1,3-thiazole

C17H12ClN3O2S2 — CID 52935144

IUPAC4-[6-[(2-chlorophenyl)methylsulfonyl]-1H-benzimidazol-2-yl]-1,3-thiazole
SMILESO=S(=O)(Cc1ccccc1Cl)c1ccc2nc(-c3cscn3)[nH]c2c1
InChIInChI=1S/C17H12ClN3O2S2/c18-13-4-2-1-3-11(13)9-25(22,23)12-5-6-14-15(7-12)21-17(20-14)16-8-24-10-19-16/h1-8,10H,9H2,(H,20,21)
InChIKeyKCIFJKBKERJIGB-UHFFFAOYSA-N
MW389.89 g/mol
LogP4.31
Rot. Bonds4

About 4-[6-[(2-chlorophenyl)methylsulfonyl]-1H-benzimidazol-2-yl]-1,3-thiazole

4-[6-[(2-chlorophenyl)methylsulfonyl]-1H-benzimidazol-2-yl]-1,3-thiazole (PubChem CID 52935144) has the molecular formula C17H12ClN3O2S2 and a molecular weight of 389.89 g/mol. Its IUPAC name is 4-[6-[(2-chlorophenyl)methylsulfonyl]-1H-benzimidazol-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-[6-[(2-chlorophenyl)methylsulfonyl]-1H-benzimidazol-2-yl]-1,3-thiazole
PubChem CID52935144
Molecular FormulaC17H12ClN3O2S2
Molecular Weight389.89 g/mol
Exact Mass389.01
IUPAC Name4-[6-[(2-chlorophenyl)methylsulfonyl]-1H-benzimidazol-2-yl]-1,3-thiazole
SMILESO=S(=O)(Cc1ccccc1Cl)c1ccc2nc(-c3cscn3)[nH]c2c1
InChIInChI=1S/C17H12ClN3O2S2/c18-13-4-2-1-3-11(13)9-25(22,23)12-5-6-14-15(7-12)21-17(20-14)16-8-24-10-19-16/h1-8,10H,9H2,(H,20,21)
InChIKeyKCIFJKBKERJIGB-UHFFFAOYSA-N
XLogP4.31
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.89
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[(2-chlorophenyl)methylsulfonyl]-1H-benzimidazol-2-yl]-1,3-thiazole?
The IUPAC name of 4-[6-[(2-chlorophenyl)methylsulfonyl]-1H-benzimidazol-2-yl]-1,3-thiazole (CID 52935144) is 4-[6-[(2-chlorophenyl)methylsulfonyl]-1H-benzimidazol-2-yl]-1,3-thiazole.
What is the SMILES notation for 4-[6-[(2-chlorophenyl)methylsulfonyl]-1H-benzimidazol-2-yl]-1,3-thiazole?
The canonical SMILES for 4-[6-[(2-chlorophenyl)methylsulfonyl]-1H-benzimidazol-2-yl]-1,3-thiazole is O=S(=O)(Cc1ccccc1Cl)c1ccc2nc(-c3cscn3)[nH]c2c1.
What is the InChIKey of 4-[6-[(2-chlorophenyl)methylsulfonyl]-1H-benzimidazol-2-yl]-1,3-thiazole?
The InChIKey is KCIFJKBKERJIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3O2S2/c18-13-4-2-1-3-11(13)9-25(22,23)12-5-6-14-15(7-12)21-17(20-14)16-8-24-10-19-16/h1-8,10H,9H2,(H,20,21).
What are the key properties of 4-[6-[(2-chlorophenyl)methylsulfonyl]-1H-benzimidazol-2-yl]-1,3-thiazole?
4-[6-[(2-chlorophenyl)methylsulfonyl]-1H-benzimidazol-2-yl]-1,3-thiazole has a molecular weight of 389.89 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(2-chlorophenyl)methylsulfonyl]-1H-benzimidazol-2-yl]-1,3-thiazole is sourced from PubChem (CID 52935144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).