methane;2-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide;pyridin-2-amine

C53H60N10O7 — CID 158307678

About methane;2-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide;pyridin-2-amine

methane;2-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide;pyridin-2-amine (PubChem CID 158307678) has the molecular formula C53H60N10O7 and a molecular weight of 949.13 g/mol. Its IUPAC name is methane;2-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide;pyridin-2-amine.

Molecular Properties

• Compound Name: methane;2-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide;pyridin-2-amine
• PubChem CID: 158307678
• Molecular Formula: C53H60N10O7
• Molecular Weight: 949.13 g/mol
• Exact Mass: 948.46
• IUPAC Name: methane;2-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide;pyridin-2-amine
• SMILES: C.Cc1cc(OCCN2CCOCC2)ccc1-c1nc2c(C(=O)Nc3ccccn3)cccc2[nH]1.Cc1cc(OCCN2CCOCC2)ccc1-c1nc2c(C(=O)O)cccc2[nH]1.Nc1ccccn1
• InChI: InChI=1S/C26H27N5O3.C21H23N3O4.C5H6N2.CH4/c1-18-17-19(34-16-13-31-11-14-33-15-12-31)8-9-20(18)25-28-22-6-4-5-21(24(22)30-25)26(32)29-23-7-2-3-10-27-23;1-14-13-15(28-12-9-24-7-10-27-11-8-24)5-6-16(14)20-22-18-4-2-3-17(21(25)26)19(18)23-20;6-5-3-1-2-4-7-5;/h2-10,17H,11-16H2,1H3,(H,28,30)(H,27,29,32);2-6,13H,7-12H2,1H3,(H,22,23)(H,25,26);1-4H,(H2,6,7);1H4
• InChIKey: GNHBBGOQGBOBMM-UHFFFAOYSA-N
• XLogP: 8.14
• TPSA: 218.96 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 13
• Rotatable Bonds: 13
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	949.13
LogP ≤ 5	8.14
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of methane;2-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide;pyridin-2-amine?

The IUPAC name of methane;2-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide;pyridin-2-amine (CID 158307678) is methane;2-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide;pyridin-2-amine.

What is the SMILES notation for methane;2-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide;pyridin-2-amine?

The canonical SMILES for methane;2-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide;pyridin-2-amine is C.Cc1cc(OCCN2CCOCC2)ccc1-c1nc2c(C(=O)Nc3ccccn3)cccc2[nH]1.Cc1cc(OCCN2CCOCC2)ccc1-c1nc2c(C(=O)O)cccc2[nH]1.Nc1ccccn1.

What is the InChIKey of methane;2-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide;pyridin-2-amine?

The InChIKey is GNHBBGOQGBOBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O3.C21H23N3O4.C5H6N2.CH4/c1-18-17-19(34-16-13-31-11-14-33-15-12-31)8-9-20(18)25-28-22-6-4-5-21(24(22)30-25)26(32)29-23-7-2-3-10-27-23;1-14-13-15(28-12-9-24-7-10-27-11-8-24)5-6-16(14)20-22-18-4-2-3-17(21(25)26)19(18)23-20;6-5-3-1-2-4-7-5;/h2-10,17H,11-16H2,1H3,(H,28,30)(H,27,29,32);2-6,13H,7-12H2,1H3,(H,22,23)(H,25,26);1-4H,(H2,6,7);1H4.

What are the key properties of methane;2-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide;pyridin-2-amine?

methane;2-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide;pyridin-2-amine has a molecular weight of 949.13 g/mol, XLogP of 8.14, 13 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for methane;2-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]-1H-benzimidazole-4-carboxylic acid;2-[2-methyl-4-(2-morpholin-4-ylethoxy)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide;pyridin-2-amine is sourced from PubChem (CID 158307678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).