2-(1-methylpyrrolidin-2-yl)-5-[6-[4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]-1H-imidazole

C33H38N6 — CID 144563616

About 2-(1-methylpyrrolidin-2-yl)-5-[6-[4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]-1H-imidazole

2-(1-methylpyrrolidin-2-yl)-5-[6-[4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]-1H-imidazole (PubChem CID 144563616) has the molecular formula C33H38N6 and a molecular weight of 518.71 g/mol. Its IUPAC name is 2-(1-methylpyrrolidin-2-yl)-5-[6-[4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]-1H-imidazole.

Molecular Properties

• Compound Name: 2-(1-methylpyrrolidin-2-yl)-5-[6-[4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]-1H-imidazole
• PubChem CID: 144563616
• Molecular Formula: C33H38N6
• Molecular Weight: 518.71 g/mol
• Exact Mass: 518.32
• IUPAC Name: 2-(1-methylpyrrolidin-2-yl)-5-[6-[4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]-1H-imidazole
• SMILES: CN1CCCC1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5CCCN5C)[nH]4)cc3)c3c2C2CCC3C2)[nH]1
• InChI: InChI=1S/C33H38N6/c1-38-15-3-5-28(38)32-34-18-26(36-32)21-9-7-20(8-10-21)24-13-14-25(31-23-12-11-22(17-23)30(24)31)27-19-35-33(37-27)29-6-4-16-39(29)2/h7-10,13-14,18-19,22-23,28-29H,3-6,11-12,15-17H2,1-2H3,(H,34,36)(H,35,37)/t22?,23?,28-,29?/m0/s1
• InChIKey: VIKCHRDBVCLFOB-QFZALJLWSA-N
• XLogP: 7.03
• TPSA: 63.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	518.71
LogP ≤ 5	7.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrrolidin-2-yl)-5-[6-[4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]-1H-imidazole?

The IUPAC name of 2-(1-methylpyrrolidin-2-yl)-5-[6-[4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]-1H-imidazole (CID 144563616) is 2-(1-methylpyrrolidin-2-yl)-5-[6-[4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]-1H-imidazole.

What is the SMILES notation for 2-(1-methylpyrrolidin-2-yl)-5-[6-[4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]-1H-imidazole?

The canonical SMILES for 2-(1-methylpyrrolidin-2-yl)-5-[6-[4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]-1H-imidazole is CN1CCCC1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5CCCN5C)[nH]4)cc3)c3c2C2CCC3C2)[nH]1.

What is the InChIKey of 2-(1-methylpyrrolidin-2-yl)-5-[6-[4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]-1H-imidazole?

The InChIKey is VIKCHRDBVCLFOB-QFZALJLWSA-N. The full InChI is InChI=1S/C33H38N6/c1-38-15-3-5-28(38)32-34-18-26(36-32)21-9-7-20(8-10-21)24-13-14-25(31-23-12-11-22(17-23)30(24)31)27-19-35-33(37-27)29-6-4-16-39(29)2/h7-10,13-14,18-19,22-23,28-29H,3-6,11-12,15-17H2,1-2H3,(H,34,36)(H,35,37)/t22?,23?,28-,29?/m0/s1.

What are the key properties of 2-(1-methylpyrrolidin-2-yl)-5-[6-[4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]-1H-imidazole?

2-(1-methylpyrrolidin-2-yl)-5-[6-[4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]-1H-imidazole has a molecular weight of 518.71 g/mol, XLogP of 7.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-methylpyrrolidin-2-yl)-5-[6-[4-[2-[(2S)-1-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]-1H-imidazole is sourced from PubChem (CID 144563616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).