1-[5-[2-(1H-imidazol-5-yl)phenoxy]-3,3-dimethylpentyl]imidazole

C19H24N4O — CID 67222760

IUPAC1-[5-[2-(1H-imidazol-5-yl)phenoxy]-3,3-dimethylpentyl]imidazole
SMILESCC(C)(CCOc1ccccc1-c1cnc[nH]1)CCn1ccnc1
InChIInChI=1S/C19H24N4O/c1-19(2,7-10-23-11-9-20-15-23)8-12-24-18-6-4-3-5-16(18)17-13-21-14-22-17/h3-6,9,11,13-15H,7-8,10,12H2,1-2H3,(H,21,22)
InChIKeyGTKYFPPHMMKPDO-UHFFFAOYSA-N
MW324.43 g/mol
LogP4.16
Rot. Bonds8

About 1-[5-[2-(1H-imidazol-5-yl)phenoxy]-3,3-dimethylpentyl]imidazole

1-[5-[2-(1H-imidazol-5-yl)phenoxy]-3,3-dimethylpentyl]imidazole (PubChem CID 67222760) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 1-[5-[2-(1H-imidazol-5-yl)phenoxy]-3,3-dimethylpentyl]imidazole.

Molecular Properties

Compound Name1-[5-[2-(1H-imidazol-5-yl)phenoxy]-3,3-dimethylpentyl]imidazole
PubChem CID67222760
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name1-[5-[2-(1H-imidazol-5-yl)phenoxy]-3,3-dimethylpentyl]imidazole
SMILESCC(C)(CCOc1ccccc1-c1cnc[nH]1)CCn1ccnc1
InChIInChI=1S/C19H24N4O/c1-19(2,7-10-23-11-9-20-15-23)8-12-24-18-6-4-3-5-16(18)17-13-21-14-22-17/h3-6,9,11,13-15H,7-8,10,12H2,1-2H3,(H,21,22)
InChIKeyGTKYFPPHMMKPDO-UHFFFAOYSA-N
XLogP4.16
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(2-pyrrol-1-ylethoxy)phenyl]-1H-imidazole
CID 58294140
N-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]pyrimidin-2-amine
CID 67222889
4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]-N-methylaniline
CID 143884976
5-[2-(2-thiophen-2-ylethoxy)phenyl]-1H-imidazole
CID 52933204
1-[4-(2-phenylphenoxy)butyl]imidazole
CID 4998739
2-[2-(1H-imidazol-5-yl)phenoxy]acetaldehyde
CID 143884984
1-(3,3-dimethylhexyl)imidazole
CID 144603269
3-ethyl-4-[2-(2-imidazol-1-ylethoxy)phenyl]phenol
CID 138378576
5-[2-[2-[4-(benzylsulfonylmethyl)phenyl]ethoxy]phenyl]-1H-imidazole
CID 147036147
4-[[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]carbamoyl]benzoic acid
CID 52934164
4-[[2-(1H-imidazol-5-yl)phenoxy]methyl]-1,3-thiazole
CID 70925852
2-[3-[[2-(1H-imidazol-5-yl)phenoxy]methyl]phenyl]-N-methylacetamide
CID 58294229

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-(1H-imidazol-5-yl)phenoxy]-3,3-dimethylpentyl]imidazole?
The IUPAC name of 1-[5-[2-(1H-imidazol-5-yl)phenoxy]-3,3-dimethylpentyl]imidazole (CID 67222760) is 1-[5-[2-(1H-imidazol-5-yl)phenoxy]-3,3-dimethylpentyl]imidazole.
What is the SMILES notation for 1-[5-[2-(1H-imidazol-5-yl)phenoxy]-3,3-dimethylpentyl]imidazole?
The canonical SMILES for 1-[5-[2-(1H-imidazol-5-yl)phenoxy]-3,3-dimethylpentyl]imidazole is CC(C)(CCOc1ccccc1-c1cnc[nH]1)CCn1ccnc1.
What is the InChIKey of 1-[5-[2-(1H-imidazol-5-yl)phenoxy]-3,3-dimethylpentyl]imidazole?
The InChIKey is GTKYFPPHMMKPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-19(2,7-10-23-11-9-20-15-23)8-12-24-18-6-4-3-5-16(18)17-13-21-14-22-17/h3-6,9,11,13-15H,7-8,10,12H2,1-2H3,(H,21,22).
What are the key properties of 1-[5-[2-(1H-imidazol-5-yl)phenoxy]-3,3-dimethylpentyl]imidazole?
1-[5-[2-(1H-imidazol-5-yl)phenoxy]-3,3-dimethylpentyl]imidazole has a molecular weight of 324.43 g/mol, XLogP of 4.16, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-(1H-imidazol-5-yl)phenoxy]-3,3-dimethylpentyl]imidazole is sourced from PubChem (CID 67222760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).