2-(4-phenoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)-3H-benzimidazole-5-carboxamide

C24H18N4O2S — CID 25192217

IUPAC2-(4-phenoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)-3H-benzimidazole-5-carboxamide
SMILESO=C(NCc1nccs1)c1ccc2nc(-c3ccc(Oc4ccccc4)cc3)[nH]c2c1
InChIInChI=1S/C24H18N4O2S/c29-24(26-15-22-25-12-13-31-22)17-8-11-20-21(14-17)28-23(27-20)16-6-9-19(10-7-16)30-18-4-2-1-3-5-18/h1-14H,15H2,(H,26,29)(H,27,28)
InChIKeyFSRWIHXWWVKOLD-UHFFFAOYSA-N
MW426.50 g/mol
LogP5.41
Rot. Bonds6

About 2-(4-phenoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)-3H-benzimidazole-5-carboxamide

2-(4-phenoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)-3H-benzimidazole-5-carboxamide (PubChem CID 25192217) has the molecular formula C24H18N4O2S and a molecular weight of 426.50 g/mol. Its IUPAC name is 2-(4-phenoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-phenoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)-3H-benzimidazole-5-carboxamide
PubChem CID25192217
Molecular FormulaC24H18N4O2S
Molecular Weight426.50 g/mol
Exact Mass426.12
IUPAC Name2-(4-phenoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)-3H-benzimidazole-5-carboxamide
SMILESO=C(NCc1nccs1)c1ccc2nc(-c3ccc(Oc4ccccc4)cc3)[nH]c2c1
InChIInChI=1S/C24H18N4O2S/c29-24(26-15-22-25-12-13-31-22)17-8-11-20-21(14-17)28-23(27-20)16-6-9-19(10-7-16)30-18-4-2-1-3-5-18/h1-14H,15H2,(H,26,29)(H,27,28)
InChIKeyFSRWIHXWWVKOLD-UHFFFAOYSA-N
XLogP5.41
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.50
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-(4-phenoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)-3H-benzimidazole-5-carboxamide (CID 25192217) is 2-(4-phenoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-(4-phenoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-(4-phenoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)-3H-benzimidazole-5-carboxamide is O=C(NCc1nccs1)c1ccc2nc(-c3ccc(Oc4ccccc4)cc3)[nH]c2c1.
What is the InChIKey of 2-(4-phenoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)-3H-benzimidazole-5-carboxamide?
The InChIKey is FSRWIHXWWVKOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O2S/c29-24(26-15-22-25-12-13-31-22)17-8-11-20-21(14-17)28-23(27-20)16-6-9-19(10-7-16)30-18-4-2-1-3-5-18/h1-14H,15H2,(H,26,29)(H,27,28).
What are the key properties of 2-(4-phenoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)-3H-benzimidazole-5-carboxamide?
2-(4-phenoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)-3H-benzimidazole-5-carboxamide has a molecular weight of 426.50 g/mol, XLogP of 5.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenoxyphenyl)-N-(1,3-thiazol-2-ylmethyl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 25192217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).