2-(1-phenylpyrazol-4-yl)-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]-1,3-thiazole-4-carboxamide

C27H21N7OS — CID 167795641

About 2-(1-phenylpyrazol-4-yl)-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]-1,3-thiazole-4-carboxamide

2-(1-phenylpyrazol-4-yl)-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]-1,3-thiazole-4-carboxamide (PubChem CID 167795641) has the molecular formula C27H21N7OS and a molecular weight of 491.58 g/mol. Its IUPAC name is 2-(1-phenylpyrazol-4-yl)-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-(1-phenylpyrazol-4-yl)-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]-1,3-thiazole-4-carboxamide
• PubChem CID: 167795641
• Molecular Formula: C27H21N7OS
• Molecular Weight: 491.58 g/mol
• Exact Mass: 491.15
• IUPAC Name: 2-(1-phenylpyrazol-4-yl)-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]-1,3-thiazole-4-carboxamide
• SMILES: O=C(Nc1nc2ccccc2n1CCc1ccccn1)c1csc(-c2cnn(-c3ccccc3)c2)n1
• InChI: InChI=1S/C27H21N7OS/c35-25(23-18-36-26(30-23)19-16-29-34(17-19)21-9-2-1-3-10-21)32-27-31-22-11-4-5-12-24(22)33(27)15-13-20-8-6-7-14-28-20/h1-12,14,16-18H,13,15H2,(H,31,32,35)
• InChIKey: LUMWNAGWKLARQV-UHFFFAOYSA-N
• XLogP: 5.24
• TPSA: 90.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	491.58
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylpyrazol-4-yl)-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]-1,3-thiazole-4-carboxamide?

The IUPAC name of 2-(1-phenylpyrazol-4-yl)-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]-1,3-thiazole-4-carboxamide (CID 167795641) is 2-(1-phenylpyrazol-4-yl)-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]-1,3-thiazole-4-carboxamide.

What is the SMILES notation for 2-(1-phenylpyrazol-4-yl)-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]-1,3-thiazole-4-carboxamide?

The canonical SMILES for 2-(1-phenylpyrazol-4-yl)-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]-1,3-thiazole-4-carboxamide is O=C(Nc1nc2ccccc2n1CCc1ccccn1)c1csc(-c2cnn(-c3ccccc3)c2)n1.

What is the InChIKey of 2-(1-phenylpyrazol-4-yl)-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]-1,3-thiazole-4-carboxamide?

The InChIKey is LUMWNAGWKLARQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N7OS/c35-25(23-18-36-26(30-23)19-16-29-34(17-19)21-9-2-1-3-10-21)32-27-31-22-11-4-5-12-24(22)33(27)15-13-20-8-6-7-14-28-20/h1-12,14,16-18H,13,15H2,(H,31,32,35).

What are the key properties of 2-(1-phenylpyrazol-4-yl)-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]-1,3-thiazole-4-carboxamide?

2-(1-phenylpyrazol-4-yl)-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 491.58 g/mol, XLogP of 5.24, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-phenylpyrazol-4-yl)-N-[1-(2-pyridin-2-ylethyl)benzimidazol-2-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 167795641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).