3-[1-(4-imidazol-1-ylphenyl)ethylamino]-4-methoxybutan-1-ol

C16H23N3O2 — CID 103785496

IUPAC3-[1-(4-imidazol-1-ylphenyl)ethylamino]-4-methoxybutan-1-ol
SMILESCOCC(CCO)NC(C)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C16H23N3O2/c1-13(18-15(7-10-20)11-21-2)14-3-5-16(6-4-14)19-9-8-17-12-19/h3-6,8-9,12-13,15,18,20H,7,10-11H2,1-2H3
InChIKeyPIIMTIRQQKHJJJ-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.92
Rot. Bonds8

About 3-[1-(4-imidazol-1-ylphenyl)ethylamino]-4-methoxybutan-1-ol

3-[1-(4-imidazol-1-ylphenyl)ethylamino]-4-methoxybutan-1-ol (PubChem CID 103785496) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-[1-(4-imidazol-1-ylphenyl)ethylamino]-4-methoxybutan-1-ol.

Molecular Properties

Compound Name3-[1-(4-imidazol-1-ylphenyl)ethylamino]-4-methoxybutan-1-ol
PubChem CID103785496
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name3-[1-(4-imidazol-1-ylphenyl)ethylamino]-4-methoxybutan-1-ol
SMILESCOCC(CCO)NC(C)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C16H23N3O2/c1-13(18-15(7-10-20)11-21-2)14-3-5-16(6-4-14)19-9-8-17-12-19/h3-6,8-9,12-13,15,18,20H,7,10-11H2,1-2H3
InChIKeyPIIMTIRQQKHJJJ-UHFFFAOYSA-N
XLogP1.92
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[1-(4-imidazol-1-ylphenyl)ethylamino]-4-methoxybutan-1-ol 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

N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-methoxybutan-2-amine
CID 64603200
1-(4-imidazol-1-ylphenyl)-N-(2-methoxyethyl)ethanamine
CID 43200664
4-[1-[(4-hydroxy-1-methoxybutan-2-yl)amino]ethyl]phenol
CID 114151398
N-[1-(4-imidazol-1-ylphenyl)ethyl]-3-methoxypropan-1-amine
CID 43205176
N-[1-(4-imidazol-1-ylphenyl)ethyl]pent-4-yn-2-amine
CID 115725305
1-(4-imidazol-1-ylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]ethanamine
CID 103905169
1-ethylsulfanyl-N-[1-(4-imidazol-1-ylphenyl)ethyl]propan-2-amine
CID 115725692
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,2-dimethoxyethanamine
CID 60815706
4-methoxy-3-[1-(4-propoxyphenyl)ethylamino]butan-1-ol
CID 103785549
2-(4-imidazol-1-ylphenyl)propan-1-ol
CID 117290878
1-[(2S)-2-hydroxy-3-methoxypropyl]-3-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-1-methylurea
CID 95133099
1,3-bis[1-(4-imidazol-1-ylphenyl)ethyl]urea
CID 174999274

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-imidazol-1-ylphenyl)ethylamino]-4-methoxybutan-1-ol?
The IUPAC name of 3-[1-(4-imidazol-1-ylphenyl)ethylamino]-4-methoxybutan-1-ol (CID 103785496) is 3-[1-(4-imidazol-1-ylphenyl)ethylamino]-4-methoxybutan-1-ol.
What is the SMILES notation for 3-[1-(4-imidazol-1-ylphenyl)ethylamino]-4-methoxybutan-1-ol?
The canonical SMILES for 3-[1-(4-imidazol-1-ylphenyl)ethylamino]-4-methoxybutan-1-ol is COCC(CCO)NC(C)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of 3-[1-(4-imidazol-1-ylphenyl)ethylamino]-4-methoxybutan-1-ol?
The InChIKey is PIIMTIRQQKHJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-13(18-15(7-10-20)11-21-2)14-3-5-16(6-4-14)19-9-8-17-12-19/h3-6,8-9,12-13,15,18,20H,7,10-11H2,1-2H3.
What are the key properties of 3-[1-(4-imidazol-1-ylphenyl)ethylamino]-4-methoxybutan-1-ol?
3-[1-(4-imidazol-1-ylphenyl)ethylamino]-4-methoxybutan-1-ol has a molecular weight of 289.38 g/mol, XLogP of 1.92, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-imidazol-1-ylphenyl)ethylamino]-4-methoxybutan-1-ol is sourced from PubChem (CID 103785496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).