4-bromo-2-[5-(1H-indol-3-yl)-4-(4-methoxyphenyl)-1H-imidazol-2-yl]phenol

C24H18BrN3O2 — CID 135487684

IUPAC4-bromo-2-[5-(1H-indol-3-yl)-4-(4-methoxyphenyl)-1H-imidazol-2-yl]phenol
SMILESCOc1ccc(-c2nc(-c3cc(Br)ccc3O)[nH]c2-c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C24H18BrN3O2/c1-30-16-9-6-14(7-10-16)22-23(19-13-26-20-5-3-2-4-17(19)20)28-24(27-22)18-12-15(25)8-11-21(18)29/h2-13,26,29H,1H3,(H,27,28)
InChIKeyMLNWBVXUSUJBDP-UHFFFAOYSA-N
MW460.33 g/mol
LogP6.37
Rot. Bonds4

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

4-bromo-2-[5-(1H-indol-3-yl)-4-(4-methoxyphenyl)-1H-imidazol-2-yl]phenol (PubChem CID 135487684) has the molecular formula C24H18BrN3O2 and a molecular weight of 460.33 g/mol. Its IUPAC name is 4-bromo-2-[5-(1H-indol-3-yl)-4-(4-methoxyphenyl)-1H-imidazol-2-yl]phenol.

Molecular Properties

Compound Name4-bromo-2-[5-(1H-indol-3-yl)-4-(4-methoxyphenyl)-1H-imidazol-2-yl]phenol
PubChem CID135487684
Molecular FormulaC24H18BrN3O2
Molecular Weight460.33 g/mol
Exact Mass459.06
IUPAC Name4-bromo-2-[5-(1H-indol-3-yl)-4-(4-methoxyphenyl)-1H-imidazol-2-yl]phenol
SMILESCOc1ccc(-c2nc(-c3cc(Br)ccc3O)[nH]c2-c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C24H18BrN3O2/c1-30-16-9-6-14(7-10-16)22-23(19-13-26-20-5-3-2-4-17(19)20)28-24(27-22)18-12-15(25)8-11-21(18)29/h2-13,26,29H,1H3,(H,27,28)
InChIKeyMLNWBVXUSUJBDP-UHFFFAOYSA-N
XLogP6.37
TPSA73.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.33
LogP ≤ 56.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(4-methoxyphenyl)-3-(5-phenyl-1H-imidazol-2-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 9802240
N-[(R)-2-(1H-Indol-3-yl)-1-(4-phenyl-1H-imidazol-2-yl)-ethyl]-4-methoxy-benzamidine
CID 10094509
5-[4-[2-[5-bromo-2-[(2,4-difluorophenyl)methoxy]phenyl]-5-methylpyrrol-1-yl]phenyl]-1H-imidazole
CID 44432380
2-[3-[(5-bromo-1H-indol-2-yl)methyl]imidazol-4-yl]phenol
CID 142619907
N-[(R)-2-(1H-Indol-3-yl)-1-(4-phenyl-1H-imidazol-2-yl)-ethyl]-4-trifluoromethoxy-benzamidine
CID 44385504
2-[6-Bromo-3-[(4-methoxyphenyl)methylamino]imidazo[1,2-a]pyridin-2-yl]phenol
CID 127029849
(1R,3R)-3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-1-(oxan-4-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 127030228
4-[3-(1H-imidazol-2-yl)-1H-indol-2-yl]phenol
CID 136068388
6-fluoro-3-(imidazol-1-ylmethyl)-2-(4-methoxyphenyl)-1H-indole
CID 145958531
N-[(3-bromo-5-methoxy-1H-indol-7-yl)methyl]-N'-(1H-imidazo[4,5-b]pyridin-2-yl)propane-1,3-diamine
CID 10432767
2-[[5-(5-bromo-1H-indol-2-yl)imidazol-1-yl]methyl]phenol
CID 145951275
4-{6-Bromo-3-[(2-methylphenyl)amino]imidazo[1,2-a]pyridin-2-yl}-3-methoxyphenol
CID 15989648

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[5-(1H-indol-3-yl)-4-(4-methoxyphenyl)-1H-imidazol-2-yl]phenol?
The IUPAC name of 4-bromo-2-[5-(1H-indol-3-yl)-4-(4-methoxyphenyl)-1H-imidazol-2-yl]phenol (CID 135487684) is 4-bromo-2-[5-(1H-indol-3-yl)-4-(4-methoxyphenyl)-1H-imidazol-2-yl]phenol.
What is the SMILES notation for 4-bromo-2-[5-(1H-indol-3-yl)-4-(4-methoxyphenyl)-1H-imidazol-2-yl]phenol?
The canonical SMILES for 4-bromo-2-[5-(1H-indol-3-yl)-4-(4-methoxyphenyl)-1H-imidazol-2-yl]phenol is COc1ccc(-c2nc(-c3cc(Br)ccc3O)[nH]c2-c2c[nH]c3ccccc23)cc1.
What is the InChIKey of 4-bromo-2-[5-(1H-indol-3-yl)-4-(4-methoxyphenyl)-1H-imidazol-2-yl]phenol?
The InChIKey is MLNWBVXUSUJBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18BrN3O2/c1-30-16-9-6-14(7-10-16)22-23(19-13-26-20-5-3-2-4-17(19)20)28-24(27-22)18-12-15(25)8-11-21(18)29/h2-13,26,29H,1H3,(H,27,28).
What are the key properties of 4-bromo-2-[5-(1H-indol-3-yl)-4-(4-methoxyphenyl)-1H-imidazol-2-yl]phenol?
4-bromo-2-[5-(1H-indol-3-yl)-4-(4-methoxyphenyl)-1H-imidazol-2-yl]phenol has a molecular weight of 460.33 g/mol, XLogP of 6.37, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[5-(1H-indol-3-yl)-4-(4-methoxyphenyl)-1H-imidazol-2-yl]phenol is sourced from PubChem (CID 135487684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).