2-[4-(2-chlorophenoxy)phenyl]-N-(1,3-thiazol-2-ylmethyl)-3H-benzimidazole-5-carboxamide

C24H17ClN4O2S — CID 25192356

About 2-[4-(2-chlorophenoxy)phenyl]-N-(1,3-thiazol-2-ylmethyl)-3H-benzimidazole-5-carboxamide

2-[4-(2-chlorophenoxy)phenyl]-N-(1,3-thiazol-2-ylmethyl)-3H-benzimidazole-5-carboxamide (PubChem CID 25192356) has the molecular formula C24H17ClN4O2S and a molecular weight of 460.95 g/mol. Its IUPAC name is 2-[4-(2-chlorophenoxy)phenyl]-N-(1,3-thiazol-2-ylmethyl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-[4-(2-chlorophenoxy)phenyl]-N-(1,3-thiazol-2-ylmethyl)-3H-benzimidazole-5-carboxamide
• PubChem CID: 25192356
• Molecular Formula: C24H17ClN4O2S
• Molecular Weight: 460.95 g/mol
• Exact Mass: 460.08
• IUPAC Name: 2-[4-(2-chlorophenoxy)phenyl]-N-(1,3-thiazol-2-ylmethyl)-3H-benzimidazole-5-carboxamide
• SMILES: O=C(NCc1nccs1)c1ccc2nc(-c3ccc(Oc4ccccc4Cl)cc3)[nH]c2c1
• InChI: InChI=1S/C24H17ClN4O2S/c25-18-3-1-2-4-21(18)31-17-8-5-15(6-9-17)23-28-19-10-7-16(13-20(19)29-23)24(30)27-14-22-26-11-12-32-22/h1-13H,14H2,(H,27,30)(H,28,29)
• InChIKey: ONAJXVCYMGATIT-UHFFFAOYSA-N
• XLogP: 6.06
• TPSA: 79.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	460.95
LogP ≤ 5	6.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chlorophenoxy)phenyl]-N-(1,3-thiazol-2-ylmethyl)-3H-benzimidazole-5-carboxamide?

The IUPAC name of 2-[4-(2-chlorophenoxy)phenyl]-N-(1,3-thiazol-2-ylmethyl)-3H-benzimidazole-5-carboxamide (CID 25192356) is 2-[4-(2-chlorophenoxy)phenyl]-N-(1,3-thiazol-2-ylmethyl)-3H-benzimidazole-5-carboxamide.

What is the SMILES notation for 2-[4-(2-chlorophenoxy)phenyl]-N-(1,3-thiazol-2-ylmethyl)-3H-benzimidazole-5-carboxamide?

The canonical SMILES for 2-[4-(2-chlorophenoxy)phenyl]-N-(1,3-thiazol-2-ylmethyl)-3H-benzimidazole-5-carboxamide is O=C(NCc1nccs1)c1ccc2nc(-c3ccc(Oc4ccccc4Cl)cc3)[nH]c2c1.

What is the InChIKey of 2-[4-(2-chlorophenoxy)phenyl]-N-(1,3-thiazol-2-ylmethyl)-3H-benzimidazole-5-carboxamide?

The InChIKey is ONAJXVCYMGATIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17ClN4O2S/c25-18-3-1-2-4-21(18)31-17-8-5-15(6-9-17)23-28-19-10-7-16(13-20(19)29-23)24(30)27-14-22-26-11-12-32-22/h1-13H,14H2,(H,27,30)(H,28,29).

What are the key properties of 2-[4-(2-chlorophenoxy)phenyl]-N-(1,3-thiazol-2-ylmethyl)-3H-benzimidazole-5-carboxamide?

2-[4-(2-chlorophenoxy)phenyl]-N-(1,3-thiazol-2-ylmethyl)-3H-benzimidazole-5-carboxamide has a molecular weight of 460.95 g/mol, XLogP of 6.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(2-chlorophenoxy)phenyl]-N-(1,3-thiazol-2-ylmethyl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 25192356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).