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

C17H17N3O — CID 56999955

IUPAC4-[[2-[amino(phenyl)methyl]imidazol-1-yl]methyl]phenol
SMILESNC(c1ccccc1)c1nccn1Cc1ccc(O)cc1
InChIInChI=1S/C17H17N3O/c18-16(14-4-2-1-3-5-14)17-19-10-11-20(17)12-13-6-8-15(21)9-7-13/h1-11,16,21H,12,18H2
InChIKeyFDELRSBSCAPLAF-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.69
Rot. Bonds4

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

4-[[2-[amino(phenyl)methyl]imidazol-1-yl]methyl]phenol (PubChem CID 56999955) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-[[2-[amino(phenyl)methyl]imidazol-1-yl]methyl]phenol.

Molecular Properties

Compound Name4-[[2-[amino(phenyl)methyl]imidazol-1-yl]methyl]phenol
PubChem CID56999955
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name4-[[2-[amino(phenyl)methyl]imidazol-1-yl]methyl]phenol
SMILESNC(c1ccccc1)c1nccn1Cc1ccc(O)cc1
InChIInChI=1S/C17H17N3O/c18-16(14-4-2-1-3-5-14)17-19-10-11-20(17)12-13-6-8-15(21)9-7-13/h1-11,16,21H,12,18H2
InChIKeyFDELRSBSCAPLAF-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 97307465
1-[1-[(4-phenylphenyl)methyl]imidazol-2-yl]ethanol
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4-[[2-(aminomethyl)imidazol-1-yl]methyl]phenol
CID 13477994
1-(1-benzylimidazol-2-yl)-2-(4-methylphenyl)ethanol
CID 15581101
1-benzyl-2-(1-chloro-2,2-dimethylpropyl)imidazole
CID 101370154
4-[[2-(2-iodophenyl)imidazol-1-yl]methyl]phenol
CID 82560831
[(1-benzylimidazol-2-yl)-phenylmethyl] ethanimidate
CID 20614413
3-(1-benzylimidazol-2-yl)-3-(4-fluorophenyl)propan-1-amine
CID 91445896
(S)-(1-benzylimidazol-2-yl)-naphthalen-1-ylmethanol
CID 699896
1-benzyl-2-chloroimidazole
CID 11629752
(2R)-2-(1-benzylimidazol-2-yl)sulfanyl-2-phenylacetamide
CID 41434046
(S)-(1-benzylimidazol-2-yl)-(2-ethoxyphenyl)methanol
CID 40899908

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[amino(phenyl)methyl]imidazol-1-yl]methyl]phenol?
The IUPAC name of 4-[[2-[amino(phenyl)methyl]imidazol-1-yl]methyl]phenol (CID 56999955) is 4-[[2-[amino(phenyl)methyl]imidazol-1-yl]methyl]phenol.
What is the SMILES notation for 4-[[2-[amino(phenyl)methyl]imidazol-1-yl]methyl]phenol?
The canonical SMILES for 4-[[2-[amino(phenyl)methyl]imidazol-1-yl]methyl]phenol is NC(c1ccccc1)c1nccn1Cc1ccc(O)cc1.
What is the InChIKey of 4-[[2-[amino(phenyl)methyl]imidazol-1-yl]methyl]phenol?
The InChIKey is FDELRSBSCAPLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c18-16(14-4-2-1-3-5-14)17-19-10-11-20(17)12-13-6-8-15(21)9-7-13/h1-11,16,21H,12,18H2.
What are the key properties of 4-[[2-[amino(phenyl)methyl]imidazol-1-yl]methyl]phenol?
4-[[2-[amino(phenyl)methyl]imidazol-1-yl]methyl]phenol has a molecular weight of 279.34 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[amino(phenyl)methyl]imidazol-1-yl]methyl]phenol is sourced from PubChem (CID 56999955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).