4-[5-(aminomethyl)imidazol-1-yl]phenol

C10H11N3O — CID 84662013

IUPAC4-[5-(aminomethyl)imidazol-1-yl]phenol
SMILESNCc1cncn1-c1ccc(O)cc1
InChIInChI=1S/C10H11N3O/c11-5-9-6-12-7-13(9)8-1-3-10(14)4-2-8/h1-4,6-7,14H,5,11H2
InChIKeyUXBMRIXSUNIQHV-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.04
Rot. Bonds2

About 4-[5-(aminomethyl)imidazol-1-yl]phenol

4-[5-(aminomethyl)imidazol-1-yl]phenol (PubChem CID 84662013) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 4-[5-(aminomethyl)imidazol-1-yl]phenol.

Molecular Properties

Compound Name4-[5-(aminomethyl)imidazol-1-yl]phenol
PubChem CID84662013
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name4-[5-(aminomethyl)imidazol-1-yl]phenol
SMILESNCc1cncn1-c1ccc(O)cc1
InChIInChI=1S/C10H11N3O/c11-5-9-6-12-7-13(9)8-1-3-10(14)4-2-8/h1-4,6-7,14H,5,11H2
InChIKeyUXBMRIXSUNIQHV-UHFFFAOYSA-N
XLogP1.04
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-(2-aminoethyl)imidazol-1-yl]phenol
CID 84671540
[3-(4-fluorophenyl)imidazol-4-yl]methanamine
CID 82504796
[3-(4-ethoxyphenyl)imidazol-4-yl]methanamine
CID 114702711
4-[2-[5-(aminomethyl)imidazol-1-yl]ethyl]phenol
CID 114704497
[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)imidazol-4-yl]methanamine
CID 114702865
[3-(3-methoxyphenyl)imidazol-4-yl]methanamine
CID 114703764
1-[3-(4-hydroxyphenyl)imidazol-4-yl]ethanone
CID 84670621
1-(4-bromophenyl)-5-ethylimidazole
CID 137371580
[3-(1,3-oxazol-5-yl)imidazol-4-yl]methanamine
CID 96633660
2-[3-(4-bromo-3-fluorophenyl)imidazol-4-yl]ethanamine
CID 114720765
2-[3-(3,4-dichlorophenyl)imidazol-4-yl]ethanamine
CID 114716286
[3-(2-chloro-4-iodophenyl)imidazol-4-yl]methanamine
CID 107608533

Frequently Asked Questions

What is the IUPAC name of 4-[5-(aminomethyl)imidazol-1-yl]phenol?
The IUPAC name of 4-[5-(aminomethyl)imidazol-1-yl]phenol (CID 84662013) is 4-[5-(aminomethyl)imidazol-1-yl]phenol.
What is the SMILES notation for 4-[5-(aminomethyl)imidazol-1-yl]phenol?
The canonical SMILES for 4-[5-(aminomethyl)imidazol-1-yl]phenol is NCc1cncn1-c1ccc(O)cc1.
What is the InChIKey of 4-[5-(aminomethyl)imidazol-1-yl]phenol?
The InChIKey is UXBMRIXSUNIQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c11-5-9-6-12-7-13(9)8-1-3-10(14)4-2-8/h1-4,6-7,14H,5,11H2.
What are the key properties of 4-[5-(aminomethyl)imidazol-1-yl]phenol?
4-[5-(aminomethyl)imidazol-1-yl]phenol has a molecular weight of 189.22 g/mol, XLogP of 1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(aminomethyl)imidazol-1-yl]phenol is sourced from PubChem (CID 84662013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).