4-[1-[(2-imidazol-1-ylcyclopentyl)amino]propyl]phenol

C17H23N3O — CID 43734359

IUPAC4-[1-[(2-imidazol-1-ylcyclopentyl)amino]propyl]phenol
SMILESCCC(NC1CCCC1n1ccnc1)c1ccc(O)cc1
InChIInChI=1S/C17H23N3O/c1-2-15(13-6-8-14(21)9-7-13)19-16-4-3-5-17(16)20-11-10-18-12-20/h6-12,15-17,19,21H,2-5H2,1H3
InChIKeyAJKBVTYFXMZVRS-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.42
Rot. Bonds5

About 4-[1-[(2-imidazol-1-ylcyclopentyl)amino]propyl]phenol

4-[1-[(2-imidazol-1-ylcyclopentyl)amino]propyl]phenol (PubChem CID 43734359) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-[1-[(2-imidazol-1-ylcyclopentyl)amino]propyl]phenol.

Molecular Properties

Compound Name4-[1-[(2-imidazol-1-ylcyclopentyl)amino]propyl]phenol
PubChem CID43734359
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name4-[1-[(2-imidazol-1-ylcyclopentyl)amino]propyl]phenol
SMILESCCC(NC1CCCC1n1ccnc1)c1ccc(O)cc1
InChIInChI=1S/C17H23N3O/c1-2-15(13-6-8-14(21)9-7-13)19-16-4-3-5-17(16)20-11-10-18-12-20/h6-12,15-17,19,21H,2-5H2,1H3
InChIKeyAJKBVTYFXMZVRS-UHFFFAOYSA-N
XLogP3.42
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2-imidazol-1-ylcyclopentyl)amino]propyl]phenol?
The IUPAC name of 4-[1-[(2-imidazol-1-ylcyclopentyl)amino]propyl]phenol (CID 43734359) is 4-[1-[(2-imidazol-1-ylcyclopentyl)amino]propyl]phenol.
What is the SMILES notation for 4-[1-[(2-imidazol-1-ylcyclopentyl)amino]propyl]phenol?
The canonical SMILES for 4-[1-[(2-imidazol-1-ylcyclopentyl)amino]propyl]phenol is CCC(NC1CCCC1n1ccnc1)c1ccc(O)cc1.
What is the InChIKey of 4-[1-[(2-imidazol-1-ylcyclopentyl)amino]propyl]phenol?
The InChIKey is AJKBVTYFXMZVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-2-15(13-6-8-14(21)9-7-13)19-16-4-3-5-17(16)20-11-10-18-12-20/h6-12,15-17,19,21H,2-5H2,1H3.
What are the key properties of 4-[1-[(2-imidazol-1-ylcyclopentyl)amino]propyl]phenol?
4-[1-[(2-imidazol-1-ylcyclopentyl)amino]propyl]phenol has a molecular weight of 285.39 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2-imidazol-1-ylcyclopentyl)amino]propyl]phenol is sourced from PubChem (CID 43734359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).