N-[(1R,2R)-2-hydroxy-4-[(2-phenylimidazol-1-yl)methyl]cyclopentyl]-1H-pyrrole-3-carboxamide

C20H22N4O2 — CID 154802839

About N-[(1R,2R)-2-hydroxy-4-[(2-phenylimidazol-1-yl)methyl]cyclopentyl]-1H-pyrrole-3-carboxamide

N-[(1R,2R)-2-hydroxy-4-[(2-phenylimidazol-1-yl)methyl]cyclopentyl]-1H-pyrrole-3-carboxamide (PubChem CID 154802839) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxy-4-[(2-phenylimidazol-1-yl)methyl]cyclopentyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(1R,2R)-2-hydroxy-4-[(2-phenylimidazol-1-yl)methyl]cyclopentyl]-1H-pyrrole-3-carboxamide
• PubChem CID: 154802839
• Molecular Formula: C20H22N4O2
• Molecular Weight: 350.42 g/mol
• Exact Mass: 350.17
• IUPAC Name: N-[(1R,2R)-2-hydroxy-4-[(2-phenylimidazol-1-yl)methyl]cyclopentyl]-1H-pyrrole-3-carboxamide
• SMILES: O=C(N[C@@H]1CC(Cn2ccnc2-c2ccccc2)C[C@H]1O)c1cc[nH]c1
• InChI: InChI=1S/C20H22N4O2/c25-18-11-14(10-17(18)23-20(26)16-6-7-21-12-16)13-24-9-8-22-19(24)15-4-2-1-3-5-15/h1-9,12,14,17-18,21,25H,10-11,13H2,(H,23,26)/t14?,17-,18-/m1/s1
• InChIKey: XZEQODVNHYBGMA-KNHHTTPFSA-N
• XLogP: 2.45
• TPSA: 82.94 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	350.42
LogP ≤ 5	2.45
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxy-4-[(2-phenylimidazol-1-yl)methyl]cyclopentyl]-1H-pyrrole-3-carboxamide?

The IUPAC name of N-[(1R,2R)-2-hydroxy-4-[(2-phenylimidazol-1-yl)methyl]cyclopentyl]-1H-pyrrole-3-carboxamide (CID 154802839) is N-[(1R,2R)-2-hydroxy-4-[(2-phenylimidazol-1-yl)methyl]cyclopentyl]-1H-pyrrole-3-carboxamide.

What is the SMILES notation for N-[(1R,2R)-2-hydroxy-4-[(2-phenylimidazol-1-yl)methyl]cyclopentyl]-1H-pyrrole-3-carboxamide?

The canonical SMILES for N-[(1R,2R)-2-hydroxy-4-[(2-phenylimidazol-1-yl)methyl]cyclopentyl]-1H-pyrrole-3-carboxamide is O=C(N[C@@H]1CC(Cn2ccnc2-c2ccccc2)C[C@H]1O)c1cc[nH]c1.

What is the InChIKey of N-[(1R,2R)-2-hydroxy-4-[(2-phenylimidazol-1-yl)methyl]cyclopentyl]-1H-pyrrole-3-carboxamide?

The InChIKey is XZEQODVNHYBGMA-KNHHTTPFSA-N. The full InChI is InChI=1S/C20H22N4O2/c25-18-11-14(10-17(18)23-20(26)16-6-7-21-12-16)13-24-9-8-22-19(24)15-4-2-1-3-5-15/h1-9,12,14,17-18,21,25H,10-11,13H2,(H,23,26)/t14?,17-,18-/m1/s1.

What are the key properties of N-[(1R,2R)-2-hydroxy-4-[(2-phenylimidazol-1-yl)methyl]cyclopentyl]-1H-pyrrole-3-carboxamide?

N-[(1R,2R)-2-hydroxy-4-[(2-phenylimidazol-1-yl)methyl]cyclopentyl]-1H-pyrrole-3-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 2.45, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R,2R)-2-hydroxy-4-[(2-phenylimidazol-1-yl)methyl]cyclopentyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 154802839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).