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

C20H21N3O3 — CID 146110580

IUPACN-[(1R,2R)-2-hydroxy-4-[(2-phenylimidazol-1-yl)methyl]cyclopentyl]furan-3-carboxamide
SMILESO=C(N[C@@H]1CC(Cn2ccnc2-c2ccccc2)C[C@H]1O)c1ccoc1
InChIInChI=1S/C20H21N3O3/c24-18-11-14(10-17(18)22-20(25)16-6-9-26-13-16)12-23-8-7-21-19(23)15-4-2-1-3-5-15/h1-9,13-14,17-18,24H,10-12H2,(H,22,25)/t14?,17-,18-/m1/s1
InChIKeyIPIGLZJVUIKJJT-KNHHTTPFSA-N
MW351.41 g/mol
LogP2.71
Rot. Bonds5

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

N-[(1R,2R)-2-hydroxy-4-[(2-phenylimidazol-1-yl)methyl]cyclopentyl]furan-3-carboxamide (PubChem CID 146110580) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxy-4-[(2-phenylimidazol-1-yl)methyl]cyclopentyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxy-4-[(2-phenylimidazol-1-yl)methyl]cyclopentyl]furan-3-carboxamide
PubChem CID146110580
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-[(1R,2R)-2-hydroxy-4-[(2-phenylimidazol-1-yl)methyl]cyclopentyl]furan-3-carboxamide
SMILESO=C(N[C@@H]1CC(Cn2ccnc2-c2ccccc2)C[C@H]1O)c1ccoc1
InChIInChI=1S/C20H21N3O3/c24-18-11-14(10-17(18)22-20(25)16-6-9-26-13-16)12-23-8-7-21-19(23)15-4-2-1-3-5-15/h1-9,13-14,17-18,24H,10-12H2,(H,22,25)/t14?,17-,18-/m1/s1
InChIKeyIPIGLZJVUIKJJT-KNHHTTPFSA-N
XLogP2.71
TPSA80.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R,2R)-2-hydroxy-4-[(2-phenylimidazol-1-yl)methyl]cyclopentyl]-5-methylfuran-3-carboxamide
CID 146110617
N-[(1R,2R)-2-hydroxy-4-[(2-phenylimidazol-1-yl)methyl]cyclopentyl]-1H-pyrrole-3-carboxamide
CID 154802839
N-[(1R,2R)-2-hydroxy-4-[(2-phenylimidazol-1-yl)methyl]cyclopentyl]-2-methylfuran-3-carboxamide
CID 146110575
N-[(1R,2R)-2-hydroxy-4-[(2-phenylimidazol-1-yl)methyl]cyclopentyl]-5-methoxyfuran-2-carboxamide
CID 146110636
5-chloro-N-[(1R,2R)-2-hydroxy-4-[(2-phenylimidazol-1-yl)methyl]cyclopentyl]pyrimidine-4-carboxamide
CID 146110603
N-[(1R,2R)-2-hydroxy-4-[(2-phenylimidazol-1-yl)methyl]cyclopentyl]-2-(5-methylfuran-2-yl)acetamide
CID 146110609
trans-(1R,2R)-2-[[5-(2-hydroxyethyl)-2-pyridinyl]amino]-4-[(2-phenylimidazol-1-yl)methyl]cyclopentan-1-ol
CID 167968281
trans-(1R,2R)-4-[(2-phenylimidazol-1-yl)methyl]-2-(pyridin-3-ylmethylamino)cyclopentan-1-ol
CID 154803272
trans-(1R,2R)-2-(imidazo[1,2-a]pyrazin-3-ylmethylamino)-4-[(2-phenylimidazol-1-yl)methyl]cyclopentan-1-ol
CID 146153846
trans-(1R,2R)-2-(furo[3,2-c]pyridin-2-ylmethylamino)-4-[(2-phenylimidazol-1-yl)methyl]cyclopentan-1-ol
CID 167799613
N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-4-(2-methyl-1,2,4-triazol-3-yl)benzamide
CID 146113906
N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]isoquinoline-1-carboxamide
CID 166286123

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxy-4-[(2-phenylimidazol-1-yl)methyl]cyclopentyl]furan-3-carboxamide?
The IUPAC name of N-[(1R,2R)-2-hydroxy-4-[(2-phenylimidazol-1-yl)methyl]cyclopentyl]furan-3-carboxamide (CID 146110580) is N-[(1R,2R)-2-hydroxy-4-[(2-phenylimidazol-1-yl)methyl]cyclopentyl]furan-3-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxy-4-[(2-phenylimidazol-1-yl)methyl]cyclopentyl]furan-3-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxy-4-[(2-phenylimidazol-1-yl)methyl]cyclopentyl]furan-3-carboxamide is O=C(N[C@@H]1CC(Cn2ccnc2-c2ccccc2)C[C@H]1O)c1ccoc1.
What is the InChIKey of N-[(1R,2R)-2-hydroxy-4-[(2-phenylimidazol-1-yl)methyl]cyclopentyl]furan-3-carboxamide?
The InChIKey is IPIGLZJVUIKJJT-KNHHTTPFSA-N. The full InChI is InChI=1S/C20H21N3O3/c24-18-11-14(10-17(18)22-20(25)16-6-9-26-13-16)12-23-8-7-21-19(23)15-4-2-1-3-5-15/h1-9,13-14,17-18,24H,10-12H2,(H,22,25)/t14?,17-,18-/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxy-4-[(2-phenylimidazol-1-yl)methyl]cyclopentyl]furan-3-carboxamide?
N-[(1R,2R)-2-hydroxy-4-[(2-phenylimidazol-1-yl)methyl]cyclopentyl]furan-3-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 2.71, 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]furan-3-carboxamide is sourced from PubChem (CID 146110580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).