2-[[2-[(1-methylimidazol-2-yl)methyl]imidazol-1-yl]methyl]phenol

C15H16N4O — CID 82560146

IUPAC2-[[2-[(1-methylimidazol-2-yl)methyl]imidazol-1-yl]methyl]phenol
SMILESCn1ccnc1Cc1nccn1Cc1ccccc1O
InChIInChI=1S/C15H16N4O/c1-18-8-6-16-14(18)10-15-17-7-9-19(15)11-12-4-2-3-5-13(12)20/h2-9,20H,10-11H2,1H3
InChIKeyYDWIRVRMASEOCM-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.96
Rot. Bonds4

About 2-[[2-[(1-methylimidazol-2-yl)methyl]imidazol-1-yl]methyl]phenol

2-[[2-[(1-methylimidazol-2-yl)methyl]imidazol-1-yl]methyl]phenol (PubChem CID 82560146) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-[[2-[(1-methylimidazol-2-yl)methyl]imidazol-1-yl]methyl]phenol.

Molecular Properties

Compound Name2-[[2-[(1-methylimidazol-2-yl)methyl]imidazol-1-yl]methyl]phenol
PubChem CID82560146
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name2-[[2-[(1-methylimidazol-2-yl)methyl]imidazol-1-yl]methyl]phenol
SMILESCn1ccnc1Cc1nccn1Cc1ccccc1O
InChIInChI=1S/C15H16N4O/c1-18-8-6-16-14(18)10-15-17-7-9-19(15)11-12-4-2-3-5-13(12)20/h2-9,20H,10-11H2,1H3
InChIKeyYDWIRVRMASEOCM-UHFFFAOYSA-N
XLogP1.96
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(pyridin-4-ylmethyl)imidazol-1-yl]methyl]phenol
CID 82559937
2-[[2-[(4-nitrophenyl)methyl]imidazol-1-yl]methyl]phenol
CID 82560037
1-[(3-bromo-4-fluorophenyl)methyl]-2-[(1-methylimidazol-2-yl)methyl]imidazole
CID 82561916
2-[[2-[(2-methoxyphenyl)methyl]imidazol-1-yl]methyl]benzenecarbothioamide
CID 82557961
3-[[2-[(2-chlorophenyl)methyl]imidazol-1-yl]methyl]phenol
CID 82560019
3-[[1-[(1-methylimidazol-2-yl)methyl]imidazol-2-yl]methyl]aniline
CID 82558685
4-[(1-methylimidazol-2-yl)methylsulfanyl]naphthalen-1-ol
CID 112596145
2-[(1-ethylimidazol-2-yl)methyl]pyridin-3-ol
CID 83129951
2-[[2-[(4-methoxyphenyl)methyl]imidazol-1-yl]methyl]aniline
CID 82557938
N-methyl-2-[2-[[2-(trifluoromethyl)phenyl]methyl]imidazol-1-yl]ethanamine
CID 82558534
1-[2-[(2-ethylimidazol-1-yl)methyl]phenyl]-4-methylpiperazine
CID 58996638
2-[[2-[(4-methoxyphenyl)methyl]imidazol-1-yl]methyl]benzoic acid
CID 82559982

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(1-methylimidazol-2-yl)methyl]imidazol-1-yl]methyl]phenol?
The IUPAC name of 2-[[2-[(1-methylimidazol-2-yl)methyl]imidazol-1-yl]methyl]phenol (CID 82560146) is 2-[[2-[(1-methylimidazol-2-yl)methyl]imidazol-1-yl]methyl]phenol.
What is the SMILES notation for 2-[[2-[(1-methylimidazol-2-yl)methyl]imidazol-1-yl]methyl]phenol?
The canonical SMILES for 2-[[2-[(1-methylimidazol-2-yl)methyl]imidazol-1-yl]methyl]phenol is Cn1ccnc1Cc1nccn1Cc1ccccc1O.
What is the InChIKey of 2-[[2-[(1-methylimidazol-2-yl)methyl]imidazol-1-yl]methyl]phenol?
The InChIKey is YDWIRVRMASEOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-18-8-6-16-14(18)10-15-17-7-9-19(15)11-12-4-2-3-5-13(12)20/h2-9,20H,10-11H2,1H3.
What are the key properties of 2-[[2-[(1-methylimidazol-2-yl)methyl]imidazol-1-yl]methyl]phenol?
2-[[2-[(1-methylimidazol-2-yl)methyl]imidazol-1-yl]methyl]phenol has a molecular weight of 268.32 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(1-methylimidazol-2-yl)methyl]imidazol-1-yl]methyl]phenol is sourced from PubChem (CID 82560146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).