trans-(1R,2R)-2-[(2,5-dimethylfuran-3-yl)methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol

C16H23N3O2 — CID 146112618

IUPACtrans-(1R,2R)-2-[(2,5-dimethylfuran-3-yl)methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol
SMILESCc1cc(CN[C@@H]2CC(Cn3ccnc3)C[C@H]2O)c(C)o1
InChIInChI=1S/C16H23N3O2/c1-11-5-14(12(2)21-11)8-18-15-6-13(7-16(15)20)9-19-4-3-17-10-19/h3-5,10,13,15-16,18,20H,6-9H2,1-2H3/t13?,15-,16-/m1/s1
InChIKeyYOHIOIDAQGUFNG-GNHXQJIDSA-N
MW289.38 g/mol
LogP2.02
Rot. Bonds5

About trans-(1R,2R)-2-[(2,5-dimethylfuran-3-yl)methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol

trans-(1R,2R)-2-[(2,5-dimethylfuran-3-yl)methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol (PubChem CID 146112618) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is trans-(1R,2R)-2-[(2,5-dimethylfuran-3-yl)methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[(2,5-dimethylfuran-3-yl)methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol
PubChem CID146112618
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Nametrans-(1R,2R)-2-[(2,5-dimethylfuran-3-yl)methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol
SMILESCc1cc(CN[C@@H]2CC(Cn3ccnc3)C[C@H]2O)c(C)o1
InChIInChI=1S/C16H23N3O2/c1-11-5-14(12(2)21-11)8-18-15-6-13(7-16(15)20)9-19-4-3-17-10-19/h3-5,10,13,15-16,18,20H,6-9H2,1-2H3/t13?,15-,16-/m1/s1
InChIKeyYOHIOIDAQGUFNG-GNHXQJIDSA-N
XLogP2.02
TPSA63.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[(2,5-dimethylfuran-3-yl)methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[(2,5-dimethylfuran-3-yl)methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol (CID 146112618) is trans-(1R,2R)-2-[(2,5-dimethylfuran-3-yl)methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[(2,5-dimethylfuran-3-yl)methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[(2,5-dimethylfuran-3-yl)methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol is Cc1cc(CN[C@@H]2CC(Cn3ccnc3)C[C@H]2O)c(C)o1.
What is the InChIKey of trans-(1R,2R)-2-[(2,5-dimethylfuran-3-yl)methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol?
The InChIKey is YOHIOIDAQGUFNG-GNHXQJIDSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11-5-14(12(2)21-11)8-18-15-6-13(7-16(15)20)9-19-4-3-17-10-19/h3-5,10,13,15-16,18,20H,6-9H2,1-2H3/t13?,15-,16-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[(2,5-dimethylfuran-3-yl)methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol?
trans-(1R,2R)-2-[(2,5-dimethylfuran-3-yl)methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol has a molecular weight of 289.38 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[(2,5-dimethylfuran-3-yl)methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol is sourced from PubChem (CID 146112618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).