1-[1-(3-imidazol-1-ylphenyl)benzimidazol-5-yl]ethanol

C18H16N4O — CID 11415465

IUPAC1-[1-(3-imidazol-1-ylphenyl)benzimidazol-5-yl]ethanol
SMILESCC(O)c1ccc2c(c1)ncn2-c1cccc(-n2ccnc2)c1
InChIInChI=1S/C18H16N4O/c1-13(23)14-5-6-18-17(9-14)20-12-22(18)16-4-2-3-15(10-16)21-8-7-19-11-21/h2-13,23H,1H3
InChIKeyNRFDGDPJMQDTOO-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.26
Rot. Bonds3

About 1-[1-(3-imidazol-1-ylphenyl)benzimidazol-5-yl]ethanol

1-[1-(3-imidazol-1-ylphenyl)benzimidazol-5-yl]ethanol (PubChem CID 11415465) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is 1-[1-(3-imidazol-1-ylphenyl)benzimidazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[1-(3-imidazol-1-ylphenyl)benzimidazol-5-yl]ethanol
PubChem CID11415465
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name1-[1-(3-imidazol-1-ylphenyl)benzimidazol-5-yl]ethanol
SMILESCC(O)c1ccc2c(c1)ncn2-c1cccc(-n2ccnc2)c1
InChIInChI=1S/C18H16N4O/c1-13(23)14-5-6-18-17(9-14)20-12-22(18)16-4-2-3-15(10-16)21-8-7-19-11-21/h2-13,23H,1H3
InChIKeyNRFDGDPJMQDTOO-UHFFFAOYSA-N
XLogP3.26
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-imidazol-1-ylphenyl)-5-(1-propan-2-yloxyethyl)benzimidazole
CID 11484788
1-(3-imidazol-1-ylphenyl)ethanol
CID 50973411
1-(3-imidazol-1-ylphenyl)-5-(propoxymethyl)benzimidazole
CID 11198357
(1R)-1-[1-[3-(2-methoxyphenyl)phenyl]benzimidazol-5-yl]ethanol
CID 67152123
1-[1-(3-bromophenyl)benzimidazol-5-yl]-1-deuterioethanol
CID 58349877
1-[3-[2-(3-imidazol-1-ylphenyl)ethenyl]phenyl]benzimidazole
CID 123638646
1-[1-[3-(2,3-dimethoxyphenyl)phenyl]benzimidazol-5-yl]ethanol
CID 24768673
5-propan-2-yl-1-(3-pyridin-3-ylphenyl)benzimidazole
CID 19425997
(1R)-1-[1-[3-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]benzimidazol-5-yl]ethanol
CID 67152175
(1R)-1-[1-[3-(2-piperazin-1-ylphenyl)phenyl]benzimidazol-5-yl]ethanol
CID 67152171
1-[1-(3-phenylphenyl)benzimidazol-5-yl]ethanamine
CID 16660556
ethane;1-(3-ethylphenyl)-5-propan-2-ylbenzimidazole
CID 143307448

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-imidazol-1-ylphenyl)benzimidazol-5-yl]ethanol?
The IUPAC name of 1-[1-(3-imidazol-1-ylphenyl)benzimidazol-5-yl]ethanol (CID 11415465) is 1-[1-(3-imidazol-1-ylphenyl)benzimidazol-5-yl]ethanol.
What is the SMILES notation for 1-[1-(3-imidazol-1-ylphenyl)benzimidazol-5-yl]ethanol?
The canonical SMILES for 1-[1-(3-imidazol-1-ylphenyl)benzimidazol-5-yl]ethanol is CC(O)c1ccc2c(c1)ncn2-c1cccc(-n2ccnc2)c1.
What is the InChIKey of 1-[1-(3-imidazol-1-ylphenyl)benzimidazol-5-yl]ethanol?
The InChIKey is NRFDGDPJMQDTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c1-13(23)14-5-6-18-17(9-14)20-12-22(18)16-4-2-3-15(10-16)21-8-7-19-11-21/h2-13,23H,1H3.
What are the key properties of 1-[1-(3-imidazol-1-ylphenyl)benzimidazol-5-yl]ethanol?
1-[1-(3-imidazol-1-ylphenyl)benzimidazol-5-yl]ethanol has a molecular weight of 304.35 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-imidazol-1-ylphenyl)benzimidazol-5-yl]ethanol is sourced from PubChem (CID 11415465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).