5-bromo-3-[4-(3-methoxy-6-methylcyclohexa-1,3-dien-1-yl)-5-(3-methoxyphenyl)-1H-imidazol-2-yl]-1H-indole

C26H24BrN3O2 — CID 143047899

IUPAC5-bromo-3-[4-(3-methoxy-6-methylcyclohexa-1,3-dien-1-yl)-5-(3-methoxyphenyl)-1H-imidazol-2-yl]-1H-indole
SMILESCOC1=CCC(C)C(c2nc(-c3c[nH]c4ccc(Br)cc34)[nH]c2-c2cccc(OC)c2)=C1
InChIInChI=1S/C26H24BrN3O2/c1-15-7-9-19(32-3)13-20(15)25-24(16-5-4-6-18(11-16)31-2)29-26(30-25)22-14-28-23-10-8-17(27)12-21(22)23/h4-6,8-15,28H,7H2,1-3H3,(H,29,30)
InChIKeyKGIDLKAPRYEGKI-UHFFFAOYSA-N
MW490.40 g/mol
LogP6.95
Rot. Bonds5

About 5-bromo-3-[4-(3-methoxy-6-methylcyclohexa-1,3-dien-1-yl)-5-(3-methoxyphenyl)-1H-imidazol-2-yl]-1H-indole

5-bromo-3-[4-(3-methoxy-6-methylcyclohexa-1,3-dien-1-yl)-5-(3-methoxyphenyl)-1H-imidazol-2-yl]-1H-indole (PubChem CID 143047899) has the molecular formula C26H24BrN3O2 and a molecular weight of 490.40 g/mol. Its IUPAC name is 5-bromo-3-[4-(3-methoxy-6-methylcyclohexa-1,3-dien-1-yl)-5-(3-methoxyphenyl)-1H-imidazol-2-yl]-1H-indole.

Molecular Properties

Compound Name5-bromo-3-[4-(3-methoxy-6-methylcyclohexa-1,3-dien-1-yl)-5-(3-methoxyphenyl)-1H-imidazol-2-yl]-1H-indole
PubChem CID143047899
Molecular FormulaC26H24BrN3O2
Molecular Weight490.40 g/mol
Exact Mass489.11
IUPAC Name5-bromo-3-[4-(3-methoxy-6-methylcyclohexa-1,3-dien-1-yl)-5-(3-methoxyphenyl)-1H-imidazol-2-yl]-1H-indole
SMILESCOC1=CCC(C)C(c2nc(-c3c[nH]c4ccc(Br)cc34)[nH]c2-c2cccc(OC)c2)=C1
InChIInChI=1S/C26H24BrN3O2/c1-15-7-9-19(32-3)13-20(15)25-24(16-5-4-6-18(11-16)31-2)29-26(30-25)22-14-28-23-10-8-17(27)12-21(22)23/h4-6,8-15,28H,7H2,1-3H3,(H,29,30)
InChIKeyKGIDLKAPRYEGKI-UHFFFAOYSA-N
XLogP6.95
TPSA62.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.40
LogP ≤ 56.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-bromo-3-[4-(3-methoxy-6-methylcyclohexa-1,3-dien-1-yl)-5-(3-methoxyphenyl)-1H-imidazol-2-yl]-1H-indole 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

N-(3-bromophenyl)-6-methoxy-9H-pyrimido[4,5-b]indol-4-amine
CID 5328397
4-(5-Bromoindole-3-yl)-6,7-dimethoxyquinazoline
CID 11696664
6-(5-methoxy-1-methyl-1H-indol-3-yl)-5H-pyrrolo[2,3-b]pyrazine
CID 9860448
3-[[4-[3-(1H-imidazol-5-yl)propyl]-5-[(3-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]methyl]-1H-indole
CID 168280914
(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
4-(4-(3-methoxyphenyl)-2-phenyl-1H-imidazol-5-yl)pyridine
CID 10639924
N-(1H-benzimidazol-4-ylmethyl)-2-(4-bromo-2,5-dimethoxyphenyl)ethanamine
CID 122180962
4-[5-(5-methoxy-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
CID 129206869
2-(3,4-dimethoxyphenyl)-3-methyl-5-[1-[(3-methylimidazol-4-yl)methyl]piperidin-4-yl]-1H-indole
CID 134230238
2-(3,4-dimethoxyphenyl)-3-methyl-5-[1-[(2-methyl-1H-imidazol-5-yl)methyl]piperidin-4-yl]-1H-indole
CID 134230273
2-(3,4-dimethoxyphenyl)-3-methyl-5-[1-[(1-methylimidazol-2-yl)methyl]piperidin-4-yl]-1H-indole
CID 134232865

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[4-(3-methoxy-6-methylcyclohexa-1,3-dien-1-yl)-5-(3-methoxyphenyl)-1H-imidazol-2-yl]-1H-indole?
The IUPAC name of 5-bromo-3-[4-(3-methoxy-6-methylcyclohexa-1,3-dien-1-yl)-5-(3-methoxyphenyl)-1H-imidazol-2-yl]-1H-indole (CID 143047899) is 5-bromo-3-[4-(3-methoxy-6-methylcyclohexa-1,3-dien-1-yl)-5-(3-methoxyphenyl)-1H-imidazol-2-yl]-1H-indole.
What is the SMILES notation for 5-bromo-3-[4-(3-methoxy-6-methylcyclohexa-1,3-dien-1-yl)-5-(3-methoxyphenyl)-1H-imidazol-2-yl]-1H-indole?
The canonical SMILES for 5-bromo-3-[4-(3-methoxy-6-methylcyclohexa-1,3-dien-1-yl)-5-(3-methoxyphenyl)-1H-imidazol-2-yl]-1H-indole is COC1=CCC(C)C(c2nc(-c3c[nH]c4ccc(Br)cc34)[nH]c2-c2cccc(OC)c2)=C1.
What is the InChIKey of 5-bromo-3-[4-(3-methoxy-6-methylcyclohexa-1,3-dien-1-yl)-5-(3-methoxyphenyl)-1H-imidazol-2-yl]-1H-indole?
The InChIKey is KGIDLKAPRYEGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24BrN3O2/c1-15-7-9-19(32-3)13-20(15)25-24(16-5-4-6-18(11-16)31-2)29-26(30-25)22-14-28-23-10-8-17(27)12-21(22)23/h4-6,8-15,28H,7H2,1-3H3,(H,29,30).
What are the key properties of 5-bromo-3-[4-(3-methoxy-6-methylcyclohexa-1,3-dien-1-yl)-5-(3-methoxyphenyl)-1H-imidazol-2-yl]-1H-indole?
5-bromo-3-[4-(3-methoxy-6-methylcyclohexa-1,3-dien-1-yl)-5-(3-methoxyphenyl)-1H-imidazol-2-yl]-1H-indole has a molecular weight of 490.40 g/mol, XLogP of 6.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[4-(3-methoxy-6-methylcyclohexa-1,3-dien-1-yl)-5-(3-methoxyphenyl)-1H-imidazol-2-yl]-1H-indole is sourced from PubChem (CID 143047899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).