3-chloro-2-[3-[(5-fluoro-1H-indol-2-yl)methyl]imidazol-4-yl]phenol

C18H13ClFN3O — CID 142619913

IUPAC3-chloro-2-[3-[(5-fluoro-1H-indol-2-yl)methyl]imidazol-4-yl]phenol
SMILESOc1cccc(Cl)c1-c1cncn1Cc1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C18H13ClFN3O/c19-14-2-1-3-17(24)18(14)16-8-21-10-23(16)9-13-7-11-6-12(20)4-5-15(11)22-13/h1-8,10,22,24H,9H2
InChIKeyTXHSBJADEHBGOG-UHFFFAOYSA-N
MW341.77 g/mol
LogP4.58
Rot. Bonds3

About 3-chloro-2-[3-[(5-fluoro-1H-indol-2-yl)methyl]imidazol-4-yl]phenol

3-chloro-2-[3-[(5-fluoro-1H-indol-2-yl)methyl]imidazol-4-yl]phenol (PubChem CID 142619913) has the molecular formula C18H13ClFN3O and a molecular weight of 341.77 g/mol. Its IUPAC name is 3-chloro-2-[3-[(5-fluoro-1H-indol-2-yl)methyl]imidazol-4-yl]phenol.

Molecular Properties

Compound Name3-chloro-2-[3-[(5-fluoro-1H-indol-2-yl)methyl]imidazol-4-yl]phenol
PubChem CID142619913
Molecular FormulaC18H13ClFN3O
Molecular Weight341.77 g/mol
Exact Mass341.07
IUPAC Name3-chloro-2-[3-[(5-fluoro-1H-indol-2-yl)methyl]imidazol-4-yl]phenol
SMILESOc1cccc(Cl)c1-c1cncn1Cc1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C18H13ClFN3O/c19-14-2-1-3-17(24)18(14)16-8-21-10-23(16)9-13-7-11-6-12(20)4-5-15(11)22-13/h1-8,10,22,24H,9H2
InChIKeyTXHSBJADEHBGOG-UHFFFAOYSA-N
XLogP4.58
TPSA53.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.77
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[(5-bromo-1H-indol-2-yl)methyl]imidazol-4-yl]phenol
CID 142619907
4-fluoro-2-[3-[(5-fluoro-1H-indol-2-yl)methyl]imidazol-4-yl]phenol
CID 142619909
4-chloro-2-[3-[(5-fluoro-1H-indol-2-yl)methyl]imidazol-4-yl]phenol
CID 142619919
2-[3-[(5-bromo-1H-indol-2-yl)methyl]imidazol-4-yl]-4-fluorophenol
CID 142619921
2-[3-[(5-bromo-1H-indol-2-yl)methyl]imidazol-4-yl]-4-chlorophenol
CID 142619924
2-[3-[(5-fluoro-1H-indol-2-yl)methyl]imidazol-4-yl]phenol
CID 142619931
2-[3-(4-Chloroanilino)imidazo[1,2-a]pyrazin-2-yl]phenol
CID 135416444
2-[[2-(1H-benzimidazol-2-ylamino)ethyl-ethylamino]methyl]-5-chlorophenol
CID 155538573
2-chloro-6-[3-[(5-fluoro-1H-indol-2-yl)methyl]imidazol-4-yl]phenol
CID 142619910
3-[3-[(5-fluoro-1H-indol-2-yl)methyl]imidazol-4-yl]phenol
CID 142619912
5-chloro-2-[3-[(5-fluoro-1H-indol-2-yl)methyl]imidazol-4-yl]phenol
CID 142619927
4-[3-[(5-fluoro-1H-indol-2-yl)methyl]imidazol-4-yl]phenol
CID 142619929

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[3-[(5-fluoro-1H-indol-2-yl)methyl]imidazol-4-yl]phenol?
The IUPAC name of 3-chloro-2-[3-[(5-fluoro-1H-indol-2-yl)methyl]imidazol-4-yl]phenol (CID 142619913) is 3-chloro-2-[3-[(5-fluoro-1H-indol-2-yl)methyl]imidazol-4-yl]phenol.
What is the SMILES notation for 3-chloro-2-[3-[(5-fluoro-1H-indol-2-yl)methyl]imidazol-4-yl]phenol?
The canonical SMILES for 3-chloro-2-[3-[(5-fluoro-1H-indol-2-yl)methyl]imidazol-4-yl]phenol is Oc1cccc(Cl)c1-c1cncn1Cc1cc2cc(F)ccc2[nH]1.
What is the InChIKey of 3-chloro-2-[3-[(5-fluoro-1H-indol-2-yl)methyl]imidazol-4-yl]phenol?
The InChIKey is TXHSBJADEHBGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFN3O/c19-14-2-1-3-17(24)18(14)16-8-21-10-23(16)9-13-7-11-6-12(20)4-5-15(11)22-13/h1-8,10,22,24H,9H2.
What are the key properties of 3-chloro-2-[3-[(5-fluoro-1H-indol-2-yl)methyl]imidazol-4-yl]phenol?
3-chloro-2-[3-[(5-fluoro-1H-indol-2-yl)methyl]imidazol-4-yl]phenol has a molecular weight of 341.77 g/mol, XLogP of 4.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[3-[(5-fluoro-1H-indol-2-yl)methyl]imidazol-4-yl]phenol is sourced from PubChem (CID 142619913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).