2-[(1S,3S)-3-methylcyclopentyl]-5-[6-[4-[2-[(2S,4R)-4-methylpyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]naphthalen-2-yl]-1H-imidazole

C34H36N4 — CID 58498693

About 2-[(1S,3S)-3-methylcyclopentyl]-5-[6-[4-[2-[(2S,4R)-4-methylpyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]naphthalen-2-yl]-1H-imidazole

2-[(1S,3S)-3-methylcyclopentyl]-5-[6-[4-[2-[(2S,4R)-4-methylpyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]naphthalen-2-yl]-1H-imidazole (PubChem CID 58498693) has the molecular formula C34H36N4 and a molecular weight of 500.69 g/mol. Its IUPAC name is 2-[(1S,3S)-3-methylcyclopentyl]-5-[6-[4-[2-[(2S,4R)-4-methylpyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]naphthalen-2-yl]-1H-imidazole.

Molecular Properties

• Compound Name: 2-[(1S,3S)-3-methylcyclopentyl]-5-[6-[4-[2-[(2S,4R)-4-methylpyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]naphthalen-2-yl]-1H-imidazole
• PubChem CID: 58498693
• Molecular Formula: C34H36N4
• Molecular Weight: 500.69 g/mol
• Exact Mass: 500.29
• IUPAC Name: 2-[(1S,3S)-3-methylcyclopentyl]-5-[6-[4-[2-[(2S,4R)-4-methylpyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]naphthalen-2-yl]-1H-imidazole
• SMILES: C[C@H]1CC[C@H](c2ncc(-c3ccc4cc(-c5ccc(C6=CN=C([C@@H]7C[C@@H](C)CN7)C6)cc5)ccc4c3)[nH]2)C1
• InChI: InChI=1S/C34H36N4/c1-21-3-4-29(13-21)34-37-20-33(38-34)28-12-11-26-15-25(9-10-27(26)16-28)23-5-7-24(8-6-23)30-17-32(36-19-30)31-14-22(2)18-35-31/h5-12,15-16,19-22,29,31,35H,3-4,13-14,17-18H2,1-2H3,(H,37,38)/t21-,22+,29-,31-/m0/s1
• InChIKey: LFFYHFWLTRHDGI-OSBOVTLVSA-N
• XLogP: 7.98
• TPSA: 53.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	500.69
LogP ≤ 5	7.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,3S)-3-methylcyclopentyl]-5-[6-[4-[2-[(2S,4R)-4-methylpyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]naphthalen-2-yl]-1H-imidazole?

The IUPAC name of 2-[(1S,3S)-3-methylcyclopentyl]-5-[6-[4-[2-[(2S,4R)-4-methylpyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]naphthalen-2-yl]-1H-imidazole (CID 58498693) is 2-[(1S,3S)-3-methylcyclopentyl]-5-[6-[4-[2-[(2S,4R)-4-methylpyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]naphthalen-2-yl]-1H-imidazole.

What is the SMILES notation for 2-[(1S,3S)-3-methylcyclopentyl]-5-[6-[4-[2-[(2S,4R)-4-methylpyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]naphthalen-2-yl]-1H-imidazole?

The canonical SMILES for 2-[(1S,3S)-3-methylcyclopentyl]-5-[6-[4-[2-[(2S,4R)-4-methylpyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]naphthalen-2-yl]-1H-imidazole is C[C@H]1CC[C@H](c2ncc(-c3ccc4cc(-c5ccc(C6=CN=C([C@@H]7C[C@@H](C)CN7)C6)cc5)ccc4c3)[nH]2)C1.

What is the InChIKey of 2-[(1S,3S)-3-methylcyclopentyl]-5-[6-[4-[2-[(2S,4R)-4-methylpyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]naphthalen-2-yl]-1H-imidazole?

The InChIKey is LFFYHFWLTRHDGI-OSBOVTLVSA-N. The full InChI is InChI=1S/C34H36N4/c1-21-3-4-29(13-21)34-37-20-33(38-34)28-12-11-26-15-25(9-10-27(26)16-28)23-5-7-24(8-6-23)30-17-32(36-19-30)31-14-22(2)18-35-31/h5-12,15-16,19-22,29,31,35H,3-4,13-14,17-18H2,1-2H3,(H,37,38)/t21-,22+,29-,31-/m0/s1.

What are the key properties of 2-[(1S,3S)-3-methylcyclopentyl]-5-[6-[4-[2-[(2S,4R)-4-methylpyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]naphthalen-2-yl]-1H-imidazole?

2-[(1S,3S)-3-methylcyclopentyl]-5-[6-[4-[2-[(2S,4R)-4-methylpyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]naphthalen-2-yl]-1H-imidazole has a molecular weight of 500.69 g/mol, XLogP of 7.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1S,3S)-3-methylcyclopentyl]-5-[6-[4-[2-[(2S,4R)-4-methylpyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]naphthalen-2-yl]-1H-imidazole is sourced from PubChem (CID 58498693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).