[1-[7-methoxy-2-[1-(2-methoxyethyl)indol-2-yl]-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]carbamic acid

C27H31N5O5 — CID 122703171

About [1-[7-methoxy-2-[1-(2-methoxyethyl)indol-2-yl]-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]carbamic acid

[1-[7-methoxy-2-[1-(2-methoxyethyl)indol-2-yl]-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]carbamic acid (PubChem CID 122703171) has the molecular formula C27H31N5O5 and a molecular weight of 505.58 g/mol. Its IUPAC name is [1-[7-methoxy-2-[1-(2-methoxyethyl)indol-2-yl]-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]carbamic acid.

Molecular Properties

• Compound Name: [1-[7-methoxy-2-[1-(2-methoxyethyl)indol-2-yl]-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]carbamic acid
• PubChem CID: 122703171
• Molecular Formula: C27H31N5O5
• Molecular Weight: 505.58 g/mol
• Exact Mass: 505.23
• IUPAC Name: [1-[7-methoxy-2-[1-(2-methoxyethyl)indol-2-yl]-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]carbamic acid
• SMILES: COCCn1c(-c2nc3cc(C(=O)N4CCCC(NC(=O)O)C4)cc(OC)c3n2C)cc2ccccc21
• InChI: InChI=1S/C27H31N5O5/c1-30-24-20(29-25(30)22-14-17-7-4-5-9-21(17)32(22)11-12-36-2)13-18(15-23(24)37-3)26(33)31-10-6-8-19(16-31)28-27(34)35/h4-5,7,9,13-15,19,28H,6,8,10-12,16H2,1-3H3,(H,34,35)
• InChIKey: GCWIGFNRVOBGGC-UHFFFAOYSA-N
• XLogP: 3.72
• TPSA: 110.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.58
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [1-[7-methoxy-2-[1-(2-methoxyethyl)indol-2-yl]-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]carbamic acid?

The IUPAC name of [1-[7-methoxy-2-[1-(2-methoxyethyl)indol-2-yl]-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]carbamic acid (CID 122703171) is [1-[7-methoxy-2-[1-(2-methoxyethyl)indol-2-yl]-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]carbamic acid.

What is the SMILES notation for [1-[7-methoxy-2-[1-(2-methoxyethyl)indol-2-yl]-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]carbamic acid?

The canonical SMILES for [1-[7-methoxy-2-[1-(2-methoxyethyl)indol-2-yl]-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]carbamic acid is COCCn1c(-c2nc3cc(C(=O)N4CCCC(NC(=O)O)C4)cc(OC)c3n2C)cc2ccccc21.

What is the InChIKey of [1-[7-methoxy-2-[1-(2-methoxyethyl)indol-2-yl]-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]carbamic acid?

The InChIKey is GCWIGFNRVOBGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O5/c1-30-24-20(29-25(30)22-14-17-7-4-5-9-21(17)32(22)11-12-36-2)13-18(15-23(24)37-3)26(33)31-10-6-8-19(16-31)28-27(34)35/h4-5,7,9,13-15,19,28H,6,8,10-12,16H2,1-3H3,(H,34,35).

What are the key properties of [1-[7-methoxy-2-[1-(2-methoxyethyl)indol-2-yl]-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]carbamic acid?

[1-[7-methoxy-2-[1-(2-methoxyethyl)indol-2-yl]-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]carbamic acid has a molecular weight of 505.58 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[7-methoxy-2-[1-(2-methoxyethyl)indol-2-yl]-1-methylbenzimidazole-5-carbonyl]piperidin-3-yl]carbamic acid is sourced from PubChem (CID 122703171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).