2-[2-hydroxy-5-(2-methoxy-3-pyridinyl)phenyl]-N-[4-(2-methylimidazol-1-yl)phenyl]-3H-benzimidazole-5-carboxamide

C30H24N6O3 — CID 137120394

About 2-[2-hydroxy-5-(2-methoxy-3-pyridinyl)phenyl]-N-[4-(2-methylimidazol-1-yl)phenyl]-3H-benzimidazole-5-carboxamide

2-[2-hydroxy-5-(2-methoxy-3-pyridinyl)phenyl]-N-[4-(2-methylimidazol-1-yl)phenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 137120394) has the molecular formula C30H24N6O3 and a molecular weight of 516.56 g/mol. Its IUPAC name is 2-[2-hydroxy-5-(2-methoxy-3-pyridinyl)phenyl]-N-[4-(2-methylimidazol-1-yl)phenyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-[2-hydroxy-5-(2-methoxy-3-pyridinyl)phenyl]-N-[4-(2-methylimidazol-1-yl)phenyl]-3H-benzimidazole-5-carboxamide
• PubChem CID: 137120394
• Molecular Formula: C30H24N6O3
• Molecular Weight: 516.56 g/mol
• Exact Mass: 516.19
• IUPAC Name: 2-[2-hydroxy-5-(2-methoxy-3-pyridinyl)phenyl]-N-[4-(2-methylimidazol-1-yl)phenyl]-3H-benzimidazole-5-carboxamide
• SMILES: COc1ncccc1-c1ccc(O)c(-c2nc3ccc(C(=O)Nc4ccc(-n5ccnc5C)cc4)cc3[nH]2)c1
• InChI: InChI=1S/C30H24N6O3/c1-18-31-14-15-36(18)22-9-7-21(8-10-22)33-29(38)20-5-11-25-26(17-20)35-28(34-25)24-16-19(6-12-27(24)37)23-4-3-13-32-30(23)39-2/h3-17,37H,1-2H3,(H,33,38)(H,34,35)
• InChIKey: GTQIDGMWBCPSIJ-UHFFFAOYSA-N
• XLogP: 5.75
• TPSA: 117.95 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	516.56
LogP ≤ 5	5.75
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxy-5-(2-methoxy-3-pyridinyl)phenyl]-N-[4-(2-methylimidazol-1-yl)phenyl]-3H-benzimidazole-5-carboxamide?

The IUPAC name of 2-[2-hydroxy-5-(2-methoxy-3-pyridinyl)phenyl]-N-[4-(2-methylimidazol-1-yl)phenyl]-3H-benzimidazole-5-carboxamide (CID 137120394) is 2-[2-hydroxy-5-(2-methoxy-3-pyridinyl)phenyl]-N-[4-(2-methylimidazol-1-yl)phenyl]-3H-benzimidazole-5-carboxamide.

What is the SMILES notation for 2-[2-hydroxy-5-(2-methoxy-3-pyridinyl)phenyl]-N-[4-(2-methylimidazol-1-yl)phenyl]-3H-benzimidazole-5-carboxamide?

The canonical SMILES for 2-[2-hydroxy-5-(2-methoxy-3-pyridinyl)phenyl]-N-[4-(2-methylimidazol-1-yl)phenyl]-3H-benzimidazole-5-carboxamide is COc1ncccc1-c1ccc(O)c(-c2nc3ccc(C(=O)Nc4ccc(-n5ccnc5C)cc4)cc3[nH]2)c1.

What is the InChIKey of 2-[2-hydroxy-5-(2-methoxy-3-pyridinyl)phenyl]-N-[4-(2-methylimidazol-1-yl)phenyl]-3H-benzimidazole-5-carboxamide?

The InChIKey is GTQIDGMWBCPSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N6O3/c1-18-31-14-15-36(18)22-9-7-21(8-10-22)33-29(38)20-5-11-25-26(17-20)35-28(34-25)24-16-19(6-12-27(24)37)23-4-3-13-32-30(23)39-2/h3-17,37H,1-2H3,(H,33,38)(H,34,35).

What are the key properties of 2-[2-hydroxy-5-(2-methoxy-3-pyridinyl)phenyl]-N-[4-(2-methylimidazol-1-yl)phenyl]-3H-benzimidazole-5-carboxamide?

2-[2-hydroxy-5-(2-methoxy-3-pyridinyl)phenyl]-N-[4-(2-methylimidazol-1-yl)phenyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 516.56 g/mol, XLogP of 5.75, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-hydroxy-5-(2-methoxy-3-pyridinyl)phenyl]-N-[4-(2-methylimidazol-1-yl)phenyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 137120394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).