3-[1-(2-indol-1-ylethyl)imidazol-2-yl]phenol

C19H17N3O — CID 56868715

IUPAC3-[1-(2-indol-1-ylethyl)imidazol-2-yl]phenol
SMILESOc1cccc(-c2nccn2CCn2ccc3ccccc32)c1
InChIInChI=1S/C19H17N3O/c23-17-6-3-5-16(14-17)19-20-9-11-22(19)13-12-21-10-8-15-4-1-2-7-18(15)21/h1-11,14,23H,12-13H2
InChIKeyJKSXFLNZFJBMKB-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.91
Rot. Bonds4

About 3-[1-(2-indol-1-ylethyl)imidazol-2-yl]phenol

3-[1-(2-indol-1-ylethyl)imidazol-2-yl]phenol (PubChem CID 56868715) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is 3-[1-(2-indol-1-ylethyl)imidazol-2-yl]phenol.

Molecular Properties

Compound Name3-[1-(2-indol-1-ylethyl)imidazol-2-yl]phenol
PubChem CID56868715
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name3-[1-(2-indol-1-ylethyl)imidazol-2-yl]phenol
SMILESOc1cccc(-c2nccn2CCn2ccc3ccccc32)c1
InChIInChI=1S/C19H17N3O/c23-17-6-3-5-16(14-17)19-20-9-11-22(19)13-12-21-10-8-15-4-1-2-7-18(15)21/h1-11,14,23H,12-13H2
InChIKeyJKSXFLNZFJBMKB-UHFFFAOYSA-N
XLogP3.91
TPSA42.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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2-[2-(3-phenylmethoxyphenyl)imidazol-1-yl]ethanol
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1-[2-(triazol-1-yl)ethyl]indole
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1-(2-fluoroethyl)indole
CID 80694500
2-[3-[1-[2-(4-methyltriazol-1-yl)ethyl]imidazol-2-yl]phenyl]pyrimidin-4-amine
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1-(pyrimidin-2-ylmethyl)indole
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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-indol-1-ylethyl)imidazol-2-yl]phenol?
The IUPAC name of 3-[1-(2-indol-1-ylethyl)imidazol-2-yl]phenol (CID 56868715) is 3-[1-(2-indol-1-ylethyl)imidazol-2-yl]phenol.
What is the SMILES notation for 3-[1-(2-indol-1-ylethyl)imidazol-2-yl]phenol?
The canonical SMILES for 3-[1-(2-indol-1-ylethyl)imidazol-2-yl]phenol is Oc1cccc(-c2nccn2CCn2ccc3ccccc32)c1.
What is the InChIKey of 3-[1-(2-indol-1-ylethyl)imidazol-2-yl]phenol?
The InChIKey is JKSXFLNZFJBMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c23-17-6-3-5-16(14-17)19-20-9-11-22(19)13-12-21-10-8-15-4-1-2-7-18(15)21/h1-11,14,23H,12-13H2.
What are the key properties of 3-[1-(2-indol-1-ylethyl)imidazol-2-yl]phenol?
3-[1-(2-indol-1-ylethyl)imidazol-2-yl]phenol has a molecular weight of 303.37 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-indol-1-ylethyl)imidazol-2-yl]phenol is sourced from PubChem (CID 56868715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).