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

C21H23N3O3 — CID 146110575

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[(1R,2R)-2-hydroxy-4-[(2-phenylimidazol-1-yl)methyl]cyclopentyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)N[C@@H]1CC(Cn2ccnc2-c2ccccc2)C[C@H]1O
InChIInChI=1S/C21H23N3O3/c1-14-17(7-10-27-14)21(26)23-18-11-15(12-19(18)25)13-24-9-8-22-20(24)16-5-3-2-4-6-16/h2-10,15,18-19,25H,11-13H2,1H3,(H,23,26)/t15?,18-,19-/m1/s1
InChIKeyXUJQGLWPMDOULN-JCNKGUCWSA-N
MW365.43 g/mol
LogP3.02
Rot. Bonds5

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

N-[(1R,2R)-2-hydroxy-4-[(2-phenylimidazol-1-yl)methyl]cyclopentyl]-2-methylfuran-3-carboxamide (PubChem CID 146110575) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxy-4-[(2-phenylimidazol-1-yl)methyl]cyclopentyl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxy-4-[(2-phenylimidazol-1-yl)methyl]cyclopentyl]-2-methylfuran-3-carboxamide
PubChem CID146110575
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-[(1R,2R)-2-hydroxy-4-[(2-phenylimidazol-1-yl)methyl]cyclopentyl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)N[C@@H]1CC(Cn2ccnc2-c2ccccc2)C[C@H]1O
InChIInChI=1S/C21H23N3O3/c1-14-17(7-10-27-14)21(26)23-18-11-15(12-19(18)25)13-24-9-8-22-20(24)16-5-3-2-4-6-16/h2-10,15,18-19,25H,11-13H2,1H3,(H,23,26)/t15?,18-,19-/m1/s1
InChIKeyXUJQGLWPMDOULN-JCNKGUCWSA-N
XLogP3.02
TPSA80.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxy-4-[(2-phenylimidazol-1-yl)methyl]cyclopentyl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[(1R,2R)-2-hydroxy-4-[(2-phenylimidazol-1-yl)methyl]cyclopentyl]-2-methylfuran-3-carboxamide (CID 146110575) is N-[(1R,2R)-2-hydroxy-4-[(2-phenylimidazol-1-yl)methyl]cyclopentyl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxy-4-[(2-phenylimidazol-1-yl)methyl]cyclopentyl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxy-4-[(2-phenylimidazol-1-yl)methyl]cyclopentyl]-2-methylfuran-3-carboxamide is Cc1occc1C(=O)N[C@@H]1CC(Cn2ccnc2-c2ccccc2)C[C@H]1O.
What is the InChIKey of N-[(1R,2R)-2-hydroxy-4-[(2-phenylimidazol-1-yl)methyl]cyclopentyl]-2-methylfuran-3-carboxamide?
The InChIKey is XUJQGLWPMDOULN-JCNKGUCWSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-14-17(7-10-27-14)21(26)23-18-11-15(12-19(18)25)13-24-9-8-22-20(24)16-5-3-2-4-6-16/h2-10,15,18-19,25H,11-13H2,1H3,(H,23,26)/t15?,18-,19-/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxy-4-[(2-phenylimidazol-1-yl)methyl]cyclopentyl]-2-methylfuran-3-carboxamide?
N-[(1R,2R)-2-hydroxy-4-[(2-phenylimidazol-1-yl)methyl]cyclopentyl]-2-methylfuran-3-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-hydroxy-4-[(2-phenylimidazol-1-yl)methyl]cyclopentyl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 146110575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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