5-bromo-4-fluoro-3-(3-methylimidazol-4-yl)-1H-indole

C12H9BrFN3 — CID 155566925

IUPAC5-bromo-4-fluoro-3-(3-methylimidazol-4-yl)-1H-indole
SMILESCn1cncc1-c1c[nH]c2ccc(Br)c(F)c12
InChIInChI=1S/C12H9BrFN3/c1-17-6-15-5-10(17)7-4-16-9-3-2-8(13)12(14)11(7)9/h2-6,16H,1H3
InChIKeyCQSJCFQIHJZCMT-UHFFFAOYSA-N
MW294.13 g/mol
LogP3.47
Rot. Bonds1

About 5-bromo-4-fluoro-3-(3-methylimidazol-4-yl)-1H-indole

5-bromo-4-fluoro-3-(3-methylimidazol-4-yl)-1H-indole (PubChem CID 155566925) has the molecular formula C12H9BrFN3 and a molecular weight of 294.13 g/mol. Its IUPAC name is 5-bromo-4-fluoro-3-(3-methylimidazol-4-yl)-1H-indole.

Molecular Properties

Compound Name5-bromo-4-fluoro-3-(3-methylimidazol-4-yl)-1H-indole
PubChem CID155566925
Molecular FormulaC12H9BrFN3
Molecular Weight294.13 g/mol
Exact Mass293.00
IUPAC Name5-bromo-4-fluoro-3-(3-methylimidazol-4-yl)-1H-indole
SMILESCn1cncc1-c1c[nH]c2ccc(Br)c(F)c12
InChIInChI=1S/C12H9BrFN3/c1-17-6-15-5-10(17)7-4-16-9-3-2-8(13)12(14)11(7)9/h2-6,16H,1H3
InChIKeyCQSJCFQIHJZCMT-UHFFFAOYSA-N
XLogP3.47
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.13
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Meridianin C
CID 10017019
Meridianin F
CID 10044516
3-Imidazol-1-ylmethyl-1H-indole
CID 792486
Nortopsentin C
CID 456386
Nortopsentin B
CID 456387
Aplicyanin A
CID 16718383
UK 34787
CID 194468
1-Ethyl-3-imidazol-1-ylmethyl-1H-indole
CID 10331244
11-Bromo-5,6,7,8-Tetrahydropyrimido[4',5':3,4]cyclohepta[1,2-B]indol-2-Amine
CID 58221397
3-[[5-[(3-bromophenyl)methyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazol-3-yl]methyl]-6-fluoro-1H-indole
CID 142471848
Nortopsentin A
CID 179268
4-(5-Bromo-1H-Indol-2-Yl)Pyrimidin-2-Amine
CID 11822355

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-fluoro-3-(3-methylimidazol-4-yl)-1H-indole?
The IUPAC name of 5-bromo-4-fluoro-3-(3-methylimidazol-4-yl)-1H-indole (CID 155566925) is 5-bromo-4-fluoro-3-(3-methylimidazol-4-yl)-1H-indole.
What is the SMILES notation for 5-bromo-4-fluoro-3-(3-methylimidazol-4-yl)-1H-indole?
The canonical SMILES for 5-bromo-4-fluoro-3-(3-methylimidazol-4-yl)-1H-indole is Cn1cncc1-c1c[nH]c2ccc(Br)c(F)c12.
What is the InChIKey of 5-bromo-4-fluoro-3-(3-methylimidazol-4-yl)-1H-indole?
The InChIKey is CQSJCFQIHJZCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFN3/c1-17-6-15-5-10(17)7-4-16-9-3-2-8(13)12(14)11(7)9/h2-6,16H,1H3.
What are the key properties of 5-bromo-4-fluoro-3-(3-methylimidazol-4-yl)-1H-indole?
5-bromo-4-fluoro-3-(3-methylimidazol-4-yl)-1H-indole has a molecular weight of 294.13 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-fluoro-3-(3-methylimidazol-4-yl)-1H-indole is sourced from PubChem (CID 155566925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).