4-[2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]but-3-yn-1-ol

C17H21N3O — CID 63024735

IUPAC4-[2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]but-3-yn-1-ol
SMILESCN(Cc1ccccc1C#CCCO)Cc1nccn1C
InChIInChI=1S/C17H21N3O/c1-19(14-17-18-10-11-20(17)2)13-16-9-4-3-7-15(16)8-5-6-12-21/h3-4,7,9-11,21H,6,12-14H2,1-2H3
InChIKeyPOBXWXRYYDHAJT-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.79
Rot. Bonds5

About 4-[2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]but-3-yn-1-ol

4-[2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]but-3-yn-1-ol (PubChem CID 63024735) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 4-[2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]but-3-yn-1-ol.

Molecular Properties

Compound Name4-[2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]but-3-yn-1-ol
PubChem CID63024735
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name4-[2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]but-3-yn-1-ol
SMILESCN(Cc1ccccc1C#CCCO)Cc1nccn1C
InChIInChI=1S/C17H21N3O/c1-19(14-17-18-10-11-20(17)2)13-16-9-4-3-7-15(16)8-5-6-12-21/h3-4,7,9-11,21H,6,12-14H2,1-2H3
InChIKeyPOBXWXRYYDHAJT-UHFFFAOYSA-N
XLogP1.79
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 4-[2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]but-3-yn-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

2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]benzonitrile
CID 60696333
[2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]methanamine
CID 55148826
2-chloro-6-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenol
CID 112616300
3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]pyridine-2-carbothioamide
CID 55150343
2-fluoro-3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]benzenecarbothioamide
CID 107115558
4-methyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenol
CID 82979591
4-(2-ethylphenyl)but-3-yn-1-ol
CID 130165779
3-[2-[2-(1-methylimidazol-2-yl)ethoxy]phenyl]prop-2-yn-1-ol
CID 114530828
2-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethyl]benzoic acid
CID 104548761
1-(2-chloroquinolin-3-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 60696068
3-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]quinolin-2-amine
CID 63025119
3-(4-hydroxybut-1-ynyl)-N-[2-(1-methylimidazol-2-yl)ethyl]thiophene-2-carboxamide
CID 63796971

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]but-3-yn-1-ol?
The IUPAC name of 4-[2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]but-3-yn-1-ol (CID 63024735) is 4-[2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]but-3-yn-1-ol.
What is the SMILES notation for 4-[2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]but-3-yn-1-ol?
The canonical SMILES for 4-[2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]but-3-yn-1-ol is CN(Cc1ccccc1C#CCCO)Cc1nccn1C.
What is the InChIKey of 4-[2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]but-3-yn-1-ol?
The InChIKey is POBXWXRYYDHAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-19(14-17-18-10-11-20(17)2)13-16-9-4-3-7-15(16)8-5-6-12-21/h3-4,7,9-11,21H,6,12-14H2,1-2H3.
What are the key properties of 4-[2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]but-3-yn-1-ol?
4-[2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]but-3-yn-1-ol has a molecular weight of 283.38 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]phenyl]but-3-yn-1-ol is sourced from PubChem (CID 63024735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).