4-(1H-imidazol-2-ylmethyl)-2-[3-(1H-imidazol-2-ylmethyl)phenoxy]phenol

C20H18N4O2 — CID 100927767

IUPAC4-(1H-imidazol-2-ylmethyl)-2-[3-(1H-imidazol-2-ylmethyl)phenoxy]phenol
SMILESOc1ccc(Cc2ncc[nH]2)cc1Oc1cccc(Cc2ncc[nH]2)c1
InChIInChI=1S/C20H18N4O2/c25-17-5-4-15(13-20-23-8-9-24-20)11-18(17)26-16-3-1-2-14(10-16)12-19-21-6-7-22-19/h1-11,25H,12-13H2,(H,21,22)(H,23,24)
InChIKeyTYCLBPSZSGTWCX-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.81
Rot. Bonds6

About 4-(1H-imidazol-2-ylmethyl)-2-[3-(1H-imidazol-2-ylmethyl)phenoxy]phenol

4-(1H-imidazol-2-ylmethyl)-2-[3-(1H-imidazol-2-ylmethyl)phenoxy]phenol (PubChem CID 100927767) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 4-(1H-imidazol-2-ylmethyl)-2-[3-(1H-imidazol-2-ylmethyl)phenoxy]phenol.

Molecular Properties

Compound Name4-(1H-imidazol-2-ylmethyl)-2-[3-(1H-imidazol-2-ylmethyl)phenoxy]phenol
PubChem CID100927767
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name4-(1H-imidazol-2-ylmethyl)-2-[3-(1H-imidazol-2-ylmethyl)phenoxy]phenol
SMILESOc1ccc(Cc2ncc[nH]2)cc1Oc1cccc(Cc2ncc[nH]2)c1
InChIInChI=1S/C20H18N4O2/c25-17-5-4-15(13-20-23-8-9-24-20)11-18(17)26-16-3-1-2-14(10-16)12-19-21-6-7-22-19/h1-11,25H,12-13H2,(H,21,22)(H,23,24)
InChIKeyTYCLBPSZSGTWCX-UHFFFAOYSA-N
XLogP3.81
TPSA86.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-(1H-imidazol-2-ylmethyl)-2-[3-(1H-imidazol-2-ylmethyl)phenoxy]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

Lepidine D
CID 100927766
Lepidine B
CID 100927764
Lepidine C
CID 100927765
Lepidine F
CID 100927768
2-(3-(2-((1H-Imidazol-2-yl)methyl)-6-methoxyphenoxy)benzyl)-1H-imidazole
CID 131751423
1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-[4-(1H-imidazol-2-yl)phenoxy]propan-2-ol
CID 13157371
(2S)-1-[2-(3,4-dimethoxyphenyl)ethylamino]-3-[4-(1H-imidazol-2-yl)phenoxy]propan-2-ol
CID 13157374
1-[4-(4-Bromo-1H-imidazol-2-yl)phenoxy]-3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}propan-2-ol
CID 13621676
1-{[2-(3,4-Dimethoxyphenyl)ethyl]amino}-3-{4-[(5-methyl-1H-imidazol-2-yl)methyl]phenoxy}propan-2-ol
CID 13621752
1-{4-[2-(5-Bromo-1H-imidazol-2-yl)ethyl]phenoxy}-3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}propan-2-ol
CID 13621767
3-[3,4-Dimethoxyphenylethylamino]-2-hydroxy-1-[4-[2-imidazolylmethoxymethyl]phenoxy]propane
CID 13621772
1-{[2-(3,4-Dimethoxyphenyl)ethyl]amino}-3-{4-[(1H-imidazol-2-yl)methoxy]phenoxy}propan-2-ol
CID 13621774

Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-2-ylmethyl)-2-[3-(1H-imidazol-2-ylmethyl)phenoxy]phenol?
The IUPAC name of 4-(1H-imidazol-2-ylmethyl)-2-[3-(1H-imidazol-2-ylmethyl)phenoxy]phenol (CID 100927767) is 4-(1H-imidazol-2-ylmethyl)-2-[3-(1H-imidazol-2-ylmethyl)phenoxy]phenol.
What is the SMILES notation for 4-(1H-imidazol-2-ylmethyl)-2-[3-(1H-imidazol-2-ylmethyl)phenoxy]phenol?
The canonical SMILES for 4-(1H-imidazol-2-ylmethyl)-2-[3-(1H-imidazol-2-ylmethyl)phenoxy]phenol is Oc1ccc(Cc2ncc[nH]2)cc1Oc1cccc(Cc2ncc[nH]2)c1.
What is the InChIKey of 4-(1H-imidazol-2-ylmethyl)-2-[3-(1H-imidazol-2-ylmethyl)phenoxy]phenol?
The InChIKey is TYCLBPSZSGTWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c25-17-5-4-15(13-20-23-8-9-24-20)11-18(17)26-16-3-1-2-14(10-16)12-19-21-6-7-22-19/h1-11,25H,12-13H2,(H,21,22)(H,23,24).
What are the key properties of 4-(1H-imidazol-2-ylmethyl)-2-[3-(1H-imidazol-2-ylmethyl)phenoxy]phenol?
4-(1H-imidazol-2-ylmethyl)-2-[3-(1H-imidazol-2-ylmethyl)phenoxy]phenol has a molecular weight of 346.39 g/mol, XLogP of 3.81, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-2-ylmethyl)-2-[3-(1H-imidazol-2-ylmethyl)phenoxy]phenol is sourced from PubChem (CID 100927767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).