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

C10H11N3O — CID 25029057

IUPAC4-[(2-amino-1H-imidazol-5-yl)methyl]phenol
SMILESNc1ncc(Cc2ccc(O)cc2)[nH]1
InChIInChI=1S/C10H11N3O/c11-10-12-6-8(13-10)5-7-1-3-9(14)4-2-7/h1-4,6,14H,5H2,(H3,11,12,13)
InChIKeyQSZQYEDIDGSVPT-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.29
Rot. Bonds2

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

4-[(2-amino-1H-imidazol-5-yl)methyl]phenol (PubChem CID 25029057) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 4-[(2-amino-1H-imidazol-5-yl)methyl]phenol.

Molecular Properties

Compound Name4-[(2-amino-1H-imidazol-5-yl)methyl]phenol
PubChem CID25029057
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name4-[(2-amino-1H-imidazol-5-yl)methyl]phenol
SMILESNc1ncc(Cc2ccc(O)cc2)[nH]1
InChIInChI=1S/C10H11N3O/c11-10-12-6-8(13-10)5-7-1-3-9(14)4-2-7/h1-4,6,14H,5H2,(H3,11,12,13)
InChIKeyQSZQYEDIDGSVPT-UHFFFAOYSA-N
XLogP1.29
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Fadolmidine
CID 6433098
2-((N-(1-(1H-Imidazol-4-yl)-2-propyl)imino)phenylmethyl)phenol
CID 132222
4-[3-(4-Butyl-phenoxy)-propyl]-1H-imidazole
CID 21193574
4-[(2-Amino-1-methylimidazol-4-yl)methyl]phenol
CID 10352841
Ledazerol
CID 65932
Benzenecarboximidamide, 2-hydroxy-3-(1H-imidazol-4-ylmethyl)-
CID 3074845
Benzenecarboximidamide, 2-hydroxy-3-(1H-imidazol-4-ylmethyl)-N-methyl-
CID 3074846
(+)-2-Hydroxy-3-(1-(1H-imidazol-4-yl)ethyl)benzenecarboximidamide hydrate
CID 3074849
Benzenecarboximidamide, 2-hydroxy-3-(1H-imidazol-4-ylmethyl)-N-(1-methylethyl)-, hydrate
CID 3074850
3-(1H-imidazol-4-yl)phenol
CID 24971332
4-(1H-imidazol-2-yl)phenol
CID 135723500
2-(1H-imidazol-4-yl)phenol
CID 10307884

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-1H-imidazol-5-yl)methyl]phenol?
The IUPAC name of 4-[(2-amino-1H-imidazol-5-yl)methyl]phenol (CID 25029057) is 4-[(2-amino-1H-imidazol-5-yl)methyl]phenol.
What is the SMILES notation for 4-[(2-amino-1H-imidazol-5-yl)methyl]phenol?
The canonical SMILES for 4-[(2-amino-1H-imidazol-5-yl)methyl]phenol is Nc1ncc(Cc2ccc(O)cc2)[nH]1.
What is the InChIKey of 4-[(2-amino-1H-imidazol-5-yl)methyl]phenol?
The InChIKey is QSZQYEDIDGSVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c11-10-12-6-8(13-10)5-7-1-3-9(14)4-2-7/h1-4,6,14H,5H2,(H3,11,12,13).
What are the key properties of 4-[(2-amino-1H-imidazol-5-yl)methyl]phenol?
4-[(2-amino-1H-imidazol-5-yl)methyl]phenol has a molecular weight of 189.22 g/mol, XLogP of 1.29, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-1H-imidazol-5-yl)methyl]phenol is sourced from PubChem (CID 25029057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).