N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]-6,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide

C20H23ClN4O2S — CID 70286680

About N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]-6,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide

N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]-6,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 70286680) has the molecular formula C20H23ClN4O2S and a molecular weight of 418.95 g/mol. Its IUPAC name is N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]-6,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]-6,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide
• PubChem CID: 70286680
• Molecular Formula: C20H23ClN4O2S
• Molecular Weight: 418.95 g/mol
• Exact Mass: 418.12
• IUPAC Name: N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]-6,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide
• SMILES: COC[C@H](NC(=O)c1cc2c(s1)C(C)N(C)CC2)c1nc2ccc(Cl)cc2[nH]1
• InChI: InChI=1S/C20H23ClN4O2S/c1-11-18-12(6-7-25(11)2)8-17(28-18)20(26)24-16(10-27-3)19-22-14-5-4-13(21)9-15(14)23-19/h4-5,8-9,11,16H,6-7,10H2,1-3H3,(H,22,23)(H,24,26)/t11?,16-/m0/s1
• InChIKey: SRFDUEGWJIMJRE-NBFOKTCDSA-N
• XLogP: 3.94
• TPSA: 70.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.95
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]-6,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide?

The IUPAC name of N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]-6,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide (CID 70286680) is N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]-6,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide.

What is the SMILES notation for N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]-6,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide?

The canonical SMILES for N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]-6,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide is COC[C@H](NC(=O)c1cc2c(s1)C(C)N(C)CC2)c1nc2ccc(Cl)cc2[nH]1.

What is the InChIKey of N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]-6,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide?

The InChIKey is SRFDUEGWJIMJRE-NBFOKTCDSA-N. The full InChI is InChI=1S/C20H23ClN4O2S/c1-11-18-12(6-7-25(11)2)8-17(28-18)20(26)24-16(10-27-3)19-22-14-5-4-13(21)9-15(14)23-19/h4-5,8-9,11,16H,6-7,10H2,1-3H3,(H,22,23)(H,24,26)/t11?,16-/m0/s1.

What are the key properties of N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]-6,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide?

N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]-6,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 418.95 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]-6,7-dimethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 70286680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).