4-[2-(1-aminocyclopropyl)-1H-imidazol-5-yl]phenol

C12H13N3O — CID 105468537

IUPAC4-[2-(1-aminocyclopropyl)-1H-imidazol-5-yl]phenol
SMILESNC1(c2ncc(-c3ccc(O)cc3)[nH]2)CC1
InChIInChI=1S/C12H13N3O/c13-12(5-6-12)11-14-7-10(15-11)8-1-3-9(16)4-2-8/h1-4,7,16H,5-6,13H2,(H,14,15)
InChIKeyZFUZVLDLAUTSIV-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.73
Rot. Bonds2

About 4-[2-(1-aminocyclopropyl)-1H-imidazol-5-yl]phenol

4-[2-(1-aminocyclopropyl)-1H-imidazol-5-yl]phenol (PubChem CID 105468537) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 4-[2-(1-aminocyclopropyl)-1H-imidazol-5-yl]phenol.

Molecular Properties

Compound Name4-[2-(1-aminocyclopropyl)-1H-imidazol-5-yl]phenol
PubChem CID105468537
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name4-[2-(1-aminocyclopropyl)-1H-imidazol-5-yl]phenol
SMILESNC1(c2ncc(-c3ccc(O)cc3)[nH]2)CC1
InChIInChI=1S/C12H13N3O/c13-12(5-6-12)11-14-7-10(15-11)8-1-3-9(16)4-2-8/h1-4,7,16H,5-6,13H2,(H,14,15)
InChIKeyZFUZVLDLAUTSIV-UHFFFAOYSA-N
XLogP1.73
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-aminocyclopropyl)-1H-imidazol-5-yl]phenol?
The IUPAC name of 4-[2-(1-aminocyclopropyl)-1H-imidazol-5-yl]phenol (CID 105468537) is 4-[2-(1-aminocyclopropyl)-1H-imidazol-5-yl]phenol.
What is the SMILES notation for 4-[2-(1-aminocyclopropyl)-1H-imidazol-5-yl]phenol?
The canonical SMILES for 4-[2-(1-aminocyclopropyl)-1H-imidazol-5-yl]phenol is NC1(c2ncc(-c3ccc(O)cc3)[nH]2)CC1.
What is the InChIKey of 4-[2-(1-aminocyclopropyl)-1H-imidazol-5-yl]phenol?
The InChIKey is ZFUZVLDLAUTSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c13-12(5-6-12)11-14-7-10(15-11)8-1-3-9(16)4-2-8/h1-4,7,16H,5-6,13H2,(H,14,15).
What are the key properties of 4-[2-(1-aminocyclopropyl)-1H-imidazol-5-yl]phenol?
4-[2-(1-aminocyclopropyl)-1H-imidazol-5-yl]phenol has a molecular weight of 215.26 g/mol, XLogP of 1.73, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-aminocyclopropyl)-1H-imidazol-5-yl]phenol is sourced from PubChem (CID 105468537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).