4-[(2-amino-1-benzylimidazol-4-yl)methyl]phenol

C17H17N3O — CID 139230486

IUPAC4-[(2-amino-1-benzylimidazol-4-yl)methyl]phenol
SMILESNc1nc(Cc2ccc(O)cc2)cn1Cc1ccccc1
InChIInChI=1S/C17H17N3O/c18-17-19-15(10-13-6-8-16(21)9-7-13)12-20(17)11-14-4-2-1-3-5-14/h1-9,12,21H,10-11H2,(H2,18,19)
InChIKeyHMMMQGLYHXJMBR-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.81
Rot. Bonds4

About 4-[(2-amino-1-benzylimidazol-4-yl)methyl]phenol

4-[(2-amino-1-benzylimidazol-4-yl)methyl]phenol (PubChem CID 139230486) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-[(2-amino-1-benzylimidazol-4-yl)methyl]phenol.

Molecular Properties

Compound Name4-[(2-amino-1-benzylimidazol-4-yl)methyl]phenol
PubChem CID139230486
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name4-[(2-amino-1-benzylimidazol-4-yl)methyl]phenol
SMILESNc1nc(Cc2ccc(O)cc2)cn1Cc1ccccc1
InChIInChI=1S/C17H17N3O/c18-17-19-15(10-13-6-8-16(21)9-7-13)12-20(17)11-14-4-2-1-3-5-14/h1-9,12,21H,10-11H2,(H2,18,19)
InChIKeyHMMMQGLYHXJMBR-UHFFFAOYSA-N
XLogP2.81
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-1-benzylimidazol-4-yl)methyl]phenol?
The IUPAC name of 4-[(2-amino-1-benzylimidazol-4-yl)methyl]phenol (CID 139230486) is 4-[(2-amino-1-benzylimidazol-4-yl)methyl]phenol.
What is the SMILES notation for 4-[(2-amino-1-benzylimidazol-4-yl)methyl]phenol?
The canonical SMILES for 4-[(2-amino-1-benzylimidazol-4-yl)methyl]phenol is Nc1nc(Cc2ccc(O)cc2)cn1Cc1ccccc1.
What is the InChIKey of 4-[(2-amino-1-benzylimidazol-4-yl)methyl]phenol?
The InChIKey is HMMMQGLYHXJMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c18-17-19-15(10-13-6-8-16(21)9-7-13)12-20(17)11-14-4-2-1-3-5-14/h1-9,12,21H,10-11H2,(H2,18,19).
What are the key properties of 4-[(2-amino-1-benzylimidazol-4-yl)methyl]phenol?
4-[(2-amino-1-benzylimidazol-4-yl)methyl]phenol has a molecular weight of 279.34 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-1-benzylimidazol-4-yl)methyl]phenol is sourced from PubChem (CID 139230486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).