2-[3-[(5-bromo-1H-indol-2-yl)methyl]imidazol-4-yl]-4-chlorophenol

C18H13BrClN3O — CID 142619924

IUPAC2-[3-[(5-bromo-1H-indol-2-yl)methyl]imidazol-4-yl]-4-chlorophenol
SMILESOc1ccc(Cl)cc1-c1cncn1Cc1cc2cc(Br)ccc2[nH]1
InChIInChI=1S/C18H13BrClN3O/c19-12-1-3-16-11(5-12)6-14(22-16)9-23-10-21-8-17(23)15-7-13(20)2-4-18(15)24/h1-8,10,22,24H,9H2
InChIKeyOHQWRWBATWFKHD-UHFFFAOYSA-N
MW402.68 g/mol
LogP5.20
Rot. Bonds3

About 2-[3-[(5-bromo-1H-indol-2-yl)methyl]imidazol-4-yl]-4-chlorophenol

2-[3-[(5-bromo-1H-indol-2-yl)methyl]imidazol-4-yl]-4-chlorophenol (PubChem CID 142619924) has the molecular formula C18H13BrClN3O and a molecular weight of 402.68 g/mol. Its IUPAC name is 2-[3-[(5-bromo-1H-indol-2-yl)methyl]imidazol-4-yl]-4-chlorophenol.

Molecular Properties

Compound Name2-[3-[(5-bromo-1H-indol-2-yl)methyl]imidazol-4-yl]-4-chlorophenol
PubChem CID142619924
Molecular FormulaC18H13BrClN3O
Molecular Weight402.68 g/mol
Exact Mass400.99
IUPAC Name2-[3-[(5-bromo-1H-indol-2-yl)methyl]imidazol-4-yl]-4-chlorophenol
SMILESOc1ccc(Cl)cc1-c1cncn1Cc1cc2cc(Br)ccc2[nH]1
InChIInChI=1S/C18H13BrClN3O/c19-12-1-3-16-11(5-12)6-14(22-16)9-23-10-21-8-17(23)15-7-13(20)2-4-18(15)24/h1-8,10,22,24H,9H2
InChIKeyOHQWRWBATWFKHD-UHFFFAOYSA-N
XLogP5.20
TPSA53.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.68
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[3-[(5-bromo-1H-indol-2-yl)methyl]imidazol-4-yl]-4-chlorophenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-fluoro-1H-indol-2-yl)methyl]imidazol-4-yl]phenol
CID 142619931
2-chloro-6-[3-[(5-fluoro-1H-indol-2-yl)methyl]imidazol-4-yl]phenol
CID 142619910
3-chloro-2-[3-[(5-fluoro-1H-indol-2-yl)methyl]imidazol-4-yl]phenol
CID 142619913
3-[[5-(5-bromo-1H-indol-2-yl)imidazol-1-yl]methyl]phenol
CID 142619923
5-chloro-2-[3-[(5-fluoro-1H-indol-2-yl)methyl]imidazol-4-yl]phenol
CID 142619927
2-[5-(5-bromo-1H-indol-2-yl)imidazol-1-yl]-1-phenylethanol
CID 142619933
2-[[5-(5-bromo-1H-indol-2-yl)imidazol-1-yl]methyl]phenol
CID 145951275
Phenol, 2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-4-chloro-
CID 135557981

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(5-bromo-1H-indol-2-yl)methyl]imidazol-4-yl]-4-chlorophenol?
The IUPAC name of 2-[3-[(5-bromo-1H-indol-2-yl)methyl]imidazol-4-yl]-4-chlorophenol (CID 142619924) is 2-[3-[(5-bromo-1H-indol-2-yl)methyl]imidazol-4-yl]-4-chlorophenol.
What is the SMILES notation for 2-[3-[(5-bromo-1H-indol-2-yl)methyl]imidazol-4-yl]-4-chlorophenol?
The canonical SMILES for 2-[3-[(5-bromo-1H-indol-2-yl)methyl]imidazol-4-yl]-4-chlorophenol is Oc1ccc(Cl)cc1-c1cncn1Cc1cc2cc(Br)ccc2[nH]1.
What is the InChIKey of 2-[3-[(5-bromo-1H-indol-2-yl)methyl]imidazol-4-yl]-4-chlorophenol?
The InChIKey is OHQWRWBATWFKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrClN3O/c19-12-1-3-16-11(5-12)6-14(22-16)9-23-10-21-8-17(23)15-7-13(20)2-4-18(15)24/h1-8,10,22,24H,9H2.
What are the key properties of 2-[3-[(5-bromo-1H-indol-2-yl)methyl]imidazol-4-yl]-4-chlorophenol?
2-[3-[(5-bromo-1H-indol-2-yl)methyl]imidazol-4-yl]-4-chlorophenol has a molecular weight of 402.68 g/mol, XLogP of 5.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(5-bromo-1H-indol-2-yl)methyl]imidazol-4-yl]-4-chlorophenol is sourced from PubChem (CID 142619924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).