3-[1-(1H-imidazol-5-ylmethylamino)ethyl]phenol

C12H15N3O — CID 62761945

IUPAC3-[1-(1H-imidazol-5-ylmethylamino)ethyl]phenol
SMILESCC(NCc1cnc[nH]1)c1cccc(O)c1
InChIInChI=1S/C12H15N3O/c1-9(10-3-2-4-12(16)5-10)14-7-11-6-13-8-15-11/h2-6,8-9,14,16H,7H2,1H3,(H,13,15)
InChIKeyPHUFHOZAWSCWMF-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.97
Rot. Bonds4

About 3-[1-(1H-imidazol-5-ylmethylamino)ethyl]phenol

3-[1-(1H-imidazol-5-ylmethylamino)ethyl]phenol (PubChem CID 62761945) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-[1-(1H-imidazol-5-ylmethylamino)ethyl]phenol.

Molecular Properties

Compound Name3-[1-(1H-imidazol-5-ylmethylamino)ethyl]phenol
PubChem CID62761945
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name3-[1-(1H-imidazol-5-ylmethylamino)ethyl]phenol
SMILESCC(NCc1cnc[nH]1)c1cccc(O)c1
InChIInChI=1S/C12H15N3O/c1-9(10-3-2-4-12(16)5-10)14-7-11-6-13-8-15-11/h2-6,8-9,14,16H,7H2,1H3,(H,13,15)
InChIKeyPHUFHOZAWSCWMF-UHFFFAOYSA-N
XLogP1.97
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[1-(1H-imidazol-5-ylmethylamino)ethyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine
CID 62761205
(1R)-1-(3-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine
CID 81366280
(1R)-N-(1H-imidazol-5-ylmethyl)-1-phenylethanamine
CID 63714042
1-(3,4-dimethoxyphenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine
CID 55109973
(1S)-1-(4-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine
CID 81353258
4-[1-(1H-imidazol-5-ylmethylamino)ethyl]benzonitrile
CID 62762285
1-[4-(difluoromethoxy)phenyl]-N-(1H-imidazol-5-ylmethyl)ethanamine
CID 62998835
3-[1-(isoquinolin-6-ylmethylamino)ethyl]phenol
CID 107037984
3-[1-[(3,5-dichlorophenyl)methylamino]ethyl]phenol
CID 60790186
3-[1-(1,2-oxazol-3-ylmethylamino)ethyl]phenol
CID 81170422
(E)-N-[(1S)-1-(3-hydroxyphenyl)ethyl]-3-(1H-imidazol-5-yl)prop-2-enamide
CID 166182918
1-(2,5-difluorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine
CID 62762989

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1H-imidazol-5-ylmethylamino)ethyl]phenol?
The IUPAC name of 3-[1-(1H-imidazol-5-ylmethylamino)ethyl]phenol (CID 62761945) is 3-[1-(1H-imidazol-5-ylmethylamino)ethyl]phenol.
What is the SMILES notation for 3-[1-(1H-imidazol-5-ylmethylamino)ethyl]phenol?
The canonical SMILES for 3-[1-(1H-imidazol-5-ylmethylamino)ethyl]phenol is CC(NCc1cnc[nH]1)c1cccc(O)c1.
What is the InChIKey of 3-[1-(1H-imidazol-5-ylmethylamino)ethyl]phenol?
The InChIKey is PHUFHOZAWSCWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-9(10-3-2-4-12(16)5-10)14-7-11-6-13-8-15-11/h2-6,8-9,14,16H,7H2,1H3,(H,13,15).
What are the key properties of 3-[1-(1H-imidazol-5-ylmethylamino)ethyl]phenol?
3-[1-(1H-imidazol-5-ylmethylamino)ethyl]phenol has a molecular weight of 217.27 g/mol, XLogP of 1.97, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1H-imidazol-5-ylmethylamino)ethyl]phenol is sourced from PubChem (CID 62761945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).