[1-[2-(6-ethyl-2-methylthieno[2,3-b]pyrrol-5-yl)-7-methoxy-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]carbamic acid

C25H29N5O4S — CID 155433390

About [1-[2-(6-ethyl-2-methylthieno[2,3-b]pyrrol-5-yl)-7-methoxy-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]carbamic acid

[1-[2-(6-ethyl-2-methylthieno[2,3-b]pyrrol-5-yl)-7-methoxy-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]carbamic acid (PubChem CID 155433390) has the molecular formula C25H29N5O4S and a molecular weight of 495.61 g/mol. Its IUPAC name is [1-[2-(6-ethyl-2-methylthieno[2,3-b]pyrrol-5-yl)-7-methoxy-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]carbamic acid.

Molecular Properties

• Compound Name: [1-[2-(6-ethyl-2-methylthieno[2,3-b]pyrrol-5-yl)-7-methoxy-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]carbamic acid
• PubChem CID: 155433390
• Molecular Formula: C25H29N5O4S
• Molecular Weight: 495.61 g/mol
• Exact Mass: 495.19
• IUPAC Name: [1-[2-(6-ethyl-2-methylthieno[2,3-b]pyrrol-5-yl)-7-methoxy-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]carbamic acid
• SMILES: CCn1c(-c2nc3cc(C(=O)N4CCCC(NC(=O)O)C4)cc(OC)c3n2C)cc2cc(C)sc21
• InChI: InChI=1S/C25H29N5O4S/c1-5-30-19(11-16-9-14(2)35-24(16)30)22-27-18-10-15(12-20(34-4)21(18)28(22)3)23(31)29-8-6-7-17(13-29)26-25(32)33/h9-12,17,26H,5-8,13H2,1-4H3,(H,32,33)
• InChIKey: ZOUOGIISEZQWHM-UHFFFAOYSA-N
• XLogP: 4.47
• TPSA: 101.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.61
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [1-[2-(6-ethyl-2-methylthieno[2,3-b]pyrrol-5-yl)-7-methoxy-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]carbamic acid?

The IUPAC name of [1-[2-(6-ethyl-2-methylthieno[2,3-b]pyrrol-5-yl)-7-methoxy-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]carbamic acid (CID 155433390) is [1-[2-(6-ethyl-2-methylthieno[2,3-b]pyrrol-5-yl)-7-methoxy-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]carbamic acid.

What is the SMILES notation for [1-[2-(6-ethyl-2-methylthieno[2,3-b]pyrrol-5-yl)-7-methoxy-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]carbamic acid?

The canonical SMILES for [1-[2-(6-ethyl-2-methylthieno[2,3-b]pyrrol-5-yl)-7-methoxy-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]carbamic acid is CCn1c(-c2nc3cc(C(=O)N4CCCC(NC(=O)O)C4)cc(OC)c3n2C)cc2cc(C)sc21.

What is the InChIKey of [1-[2-(6-ethyl-2-methylthieno[2,3-b]pyrrol-5-yl)-7-methoxy-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]carbamic acid?

The InChIKey is ZOUOGIISEZQWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O4S/c1-5-30-19(11-16-9-14(2)35-24(16)30)22-27-18-10-15(12-20(34-4)21(18)28(22)3)23(31)29-8-6-7-17(13-29)26-25(32)33/h9-12,17,26H,5-8,13H2,1-4H3,(H,32,33).

What are the key properties of [1-[2-(6-ethyl-2-methylthieno[2,3-b]pyrrol-5-yl)-7-methoxy-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]carbamic acid?

[1-[2-(6-ethyl-2-methylthieno[2,3-b]pyrrol-5-yl)-7-methoxy-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]carbamic acid has a molecular weight of 495.61 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[2-(6-ethyl-2-methylthieno[2,3-b]pyrrol-5-yl)-7-methoxy-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]carbamic acid is sourced from PubChem (CID 155433390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).