1-[(4-imidazol-1-ylphenyl)methylamino]-3-(2-methylphenoxy)propan-2-ol

C20H23N3O2 — CID 14739892

IUPAC1-[(4-imidazol-1-ylphenyl)methylamino]-3-(2-methylphenoxy)propan-2-ol
SMILESCc1ccccc1OCC(O)CNCc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C20H23N3O2/c1-16-4-2-3-5-20(16)25-14-19(24)13-22-12-17-6-8-18(9-7-17)23-11-10-21-15-23/h2-11,15,19,22,24H,12-14H2,1H3
InChIKeyNZOGFGXEMJWMEH-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.71
Rot. Bonds8

About 1-[(4-imidazol-1-ylphenyl)methylamino]-3-(2-methylphenoxy)propan-2-ol

1-[(4-imidazol-1-ylphenyl)methylamino]-3-(2-methylphenoxy)propan-2-ol (PubChem CID 14739892) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-[(4-imidazol-1-ylphenyl)methylamino]-3-(2-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-[(4-imidazol-1-ylphenyl)methylamino]-3-(2-methylphenoxy)propan-2-ol
PubChem CID14739892
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name1-[(4-imidazol-1-ylphenyl)methylamino]-3-(2-methylphenoxy)propan-2-ol
SMILESCc1ccccc1OCC(O)CNCc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C20H23N3O2/c1-16-4-2-3-5-20(16)25-14-19(24)13-22-12-17-6-8-18(9-7-17)23-11-10-21-15-23/h2-11,15,19,22,24H,12-14H2,1H3
InChIKeyNZOGFGXEMJWMEH-UHFFFAOYSA-N
XLogP2.71
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(4-imidazol-1-ylphenyl)methylamino]-3-(2-methylphenoxy)propan-2-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-Propanol, 3-(dimethylamino)-1-(6-(1-(1H-imidazol-1-yl)vinyl)phenoxy)-
CID 3069781
Methanesulfonamide, N-(4-(2-hydroxy-3-((2-(4-(1H-imidazol-1-yl)phenoxy)ethyl)amino)propoxy)phenyl)-, monohydrochloride, (+-)-
CID 3079339
2-Propanol, 1-(6-(1-(1H-benzimidazol-1-yl)vinyl)phenoxy)-3-(tert-butylamino)-
CID 3069764
2-Propanol, 3-(isopropylamino)-1-(6-(1-(4-methyl-1H-imidazol-1-yl)vinyl)phenoxy)-
CID 3069765
2-Propanol, 1-((6-(1-(1H-benzimidazol-1-yl)vinyl)-2-methoxy)phenoxy)-3-(tert-butylamino)-
CID 3069771
2-Propanol, 1-(2,5-dimethyl-6-(1-(1H-imidazol-1-yl)vinyl)phenoxy)-3-(isopropylamino)-
CID 3069779
2-Propanol, 3-(tert-butylamino)-1-(2,4-dimethyl-6-(1-(1H-imidazol-1-yl)vinyl)phenoxy)-
CID 3069780
Ersentilide
CID 208932
1-(3-(1H-imidazol-1-yl)propyl)-3-(4-(benzyloxy)phenyl)thiourea
CID 6539188
N-(4-ethylphenyl)-N-[3-(1H-imidazol-1-ylmethyl)-4-methoxybenzyl]amine
CID 20956355
1-[[2-[4-(1H-Imidazol-1-yl)phenoxy]ethyl]amino]-3-phenoxy-2-propanol
CID 14739905
1-[[2-[4-(1H-Imidazol-1-yl)phenoxy]ethyl]amino]-3-[4-(2-methoxyethyl)phenoxy]-2-propanol
CID 14739906

Frequently Asked Questions

What is the IUPAC name of 1-[(4-imidazol-1-ylphenyl)methylamino]-3-(2-methylphenoxy)propan-2-ol?
The IUPAC name of 1-[(4-imidazol-1-ylphenyl)methylamino]-3-(2-methylphenoxy)propan-2-ol (CID 14739892) is 1-[(4-imidazol-1-ylphenyl)methylamino]-3-(2-methylphenoxy)propan-2-ol.
What is the SMILES notation for 1-[(4-imidazol-1-ylphenyl)methylamino]-3-(2-methylphenoxy)propan-2-ol?
The canonical SMILES for 1-[(4-imidazol-1-ylphenyl)methylamino]-3-(2-methylphenoxy)propan-2-ol is Cc1ccccc1OCC(O)CNCc1ccc(-n2ccnc2)cc1.
What is the InChIKey of 1-[(4-imidazol-1-ylphenyl)methylamino]-3-(2-methylphenoxy)propan-2-ol?
The InChIKey is NZOGFGXEMJWMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-16-4-2-3-5-20(16)25-14-19(24)13-22-12-17-6-8-18(9-7-17)23-11-10-21-15-23/h2-11,15,19,22,24H,12-14H2,1H3.
What are the key properties of 1-[(4-imidazol-1-ylphenyl)methylamino]-3-(2-methylphenoxy)propan-2-ol?
1-[(4-imidazol-1-ylphenyl)methylamino]-3-(2-methylphenoxy)propan-2-ol has a molecular weight of 337.42 g/mol, XLogP of 2.71, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-imidazol-1-ylphenyl)methylamino]-3-(2-methylphenoxy)propan-2-ol is sourced from PubChem (CID 14739892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).