1-amino-N-[(1S)-3-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclopentane-1-carboxamide

C30H39N5O — CID 59075578

About 1-amino-N-[(1S)-3-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclopentane-1-carboxamide

1-amino-N-[(1S)-3-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclopentane-1-carboxamide (PubChem CID 59075578) has the molecular formula C30H39N5O and a molecular weight of 485.68 g/mol. Its IUPAC name is 1-amino-N-[(1S)-3-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclopentane-1-carboxamide.

Molecular Properties

• Compound Name: 1-amino-N-[(1S)-3-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclopentane-1-carboxamide
• PubChem CID: 59075578
• Molecular Formula: C30H39N5O
• Molecular Weight: 485.68 g/mol
• Exact Mass: 485.32
• IUPAC Name: 1-amino-N-[(1S)-3-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclopentane-1-carboxamide
• SMILES: Cc1nc2ccccc2n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1(N)CCCC1)c1ccccc1
• InChI: InChI=1S/C30H39N5O/c1-21-32-27-11-5-6-12-28(27)35(21)25-19-23-13-14-24(20-25)34(23)18-15-26(22-9-3-2-4-10-22)33-29(36)30(31)16-7-8-17-30/h2-6,9-12,23-26H,7-8,13-20,31H2,1H3,(H,33,36)/t23?,24?,25?,26-/m0/s1
• InChIKey: BJZZSDRJVDRQES-ILVMPNSOSA-N
• XLogP: 5.03
• TPSA: 76.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.68
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[(1S)-3-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclopentane-1-carboxamide?

The IUPAC name of 1-amino-N-[(1S)-3-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclopentane-1-carboxamide (CID 59075578) is 1-amino-N-[(1S)-3-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclopentane-1-carboxamide.

What is the SMILES notation for 1-amino-N-[(1S)-3-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclopentane-1-carboxamide?

The canonical SMILES for 1-amino-N-[(1S)-3-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclopentane-1-carboxamide is Cc1nc2ccccc2n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1(N)CCCC1)c1ccccc1.

What is the InChIKey of 1-amino-N-[(1S)-3-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclopentane-1-carboxamide?

The InChIKey is BJZZSDRJVDRQES-ILVMPNSOSA-N. The full InChI is InChI=1S/C30H39N5O/c1-21-32-27-11-5-6-12-28(27)35(21)25-19-23-13-14-24(20-25)34(23)18-15-26(22-9-3-2-4-10-22)33-29(36)30(31)16-7-8-17-30/h2-6,9-12,23-26H,7-8,13-20,31H2,1H3,(H,33,36)/t23?,24?,25?,26-/m0/s1.

What are the key properties of 1-amino-N-[(1S)-3-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclopentane-1-carboxamide?

1-amino-N-[(1S)-3-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclopentane-1-carboxamide has a molecular weight of 485.68 g/mol, XLogP of 5.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-amino-N-[(1S)-3-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 59075578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).