[1-[(4-aminophenyl)methyl]imidazol-2-yl]methanol

C11H13N3O — CID 69208976

IUPAC[1-[(4-aminophenyl)methyl]imidazol-2-yl]methanol
SMILESNc1ccc(Cn2ccnc2CO)cc1
InChIInChI=1S/C11H13N3O/c12-10-3-1-9(2-4-10)7-14-6-5-13-11(14)8-15/h1-6,15H,7-8,12H2
InChIKeyJBZSGMYAKLYIRA-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.01
Rot. Bonds3

About [1-[(4-aminophenyl)methyl]imidazol-2-yl]methanol

[1-[(4-aminophenyl)methyl]imidazol-2-yl]methanol (PubChem CID 69208976) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is [1-[(4-aminophenyl)methyl]imidazol-2-yl]methanol.

Molecular Properties

Compound Name[1-[(4-aminophenyl)methyl]imidazol-2-yl]methanol
PubChem CID69208976
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name[1-[(4-aminophenyl)methyl]imidazol-2-yl]methanol
SMILESNc1ccc(Cn2ccnc2CO)cc1
InChIInChI=1S/C11H13N3O/c12-10-3-1-9(2-4-10)7-14-6-5-13-11(14)8-15/h1-6,15H,7-8,12H2
InChIKeyJBZSGMYAKLYIRA-UHFFFAOYSA-N
XLogP1.01
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-[(4-aminophenyl)methyl]imidazol-2-yl]methanol?
The IUPAC name of [1-[(4-aminophenyl)methyl]imidazol-2-yl]methanol (CID 69208976) is [1-[(4-aminophenyl)methyl]imidazol-2-yl]methanol.
What is the SMILES notation for [1-[(4-aminophenyl)methyl]imidazol-2-yl]methanol?
The canonical SMILES for [1-[(4-aminophenyl)methyl]imidazol-2-yl]methanol is Nc1ccc(Cn2ccnc2CO)cc1.
What is the InChIKey of [1-[(4-aminophenyl)methyl]imidazol-2-yl]methanol?
The InChIKey is JBZSGMYAKLYIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c12-10-3-1-9(2-4-10)7-14-6-5-13-11(14)8-15/h1-6,15H,7-8,12H2.
What are the key properties of [1-[(4-aminophenyl)methyl]imidazol-2-yl]methanol?
[1-[(4-aminophenyl)methyl]imidazol-2-yl]methanol has a molecular weight of 203.24 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-aminophenyl)methyl]imidazol-2-yl]methanol is sourced from PubChem (CID 69208976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).