5-bromo-2-[(5-phenylimidazol-1-yl)methyl]-1H-indole

C18H14BrN3 — CID 142619922

IUPAC5-bromo-2-[(5-phenylimidazol-1-yl)methyl]-1H-indole
SMILESBrc1ccc2[nH]c(Cn3cncc3-c3ccccc3)cc2c1
InChIInChI=1S/C18H14BrN3/c19-15-6-7-17-14(8-15)9-16(21-17)11-22-12-20-10-18(22)13-4-2-1-3-5-13/h1-10,12,21H,11H2
InChIKeyXDXNMOGAXGHSEP-UHFFFAOYSA-N
MW352.24 g/mol
LogP4.84
Rot. Bonds3

About 5-bromo-2-[(5-phenylimidazol-1-yl)methyl]-1H-indole

5-bromo-2-[(5-phenylimidazol-1-yl)methyl]-1H-indole (PubChem CID 142619922) has the molecular formula C18H14BrN3 and a molecular weight of 352.24 g/mol. Its IUPAC name is 5-bromo-2-[(5-phenylimidazol-1-yl)methyl]-1H-indole.

Molecular Properties

Compound Name5-bromo-2-[(5-phenylimidazol-1-yl)methyl]-1H-indole
PubChem CID142619922
Molecular FormulaC18H14BrN3
Molecular Weight352.24 g/mol
Exact Mass351.04
IUPAC Name5-bromo-2-[(5-phenylimidazol-1-yl)methyl]-1H-indole
SMILESBrc1ccc2[nH]c(Cn3cncc3-c3ccccc3)cc2c1
InChIInChI=1S/C18H14BrN3/c19-15-6-7-17-14(8-15)9-16(21-17)11-22-12-20-10-18(22)13-4-2-1-3-5-13/h1-10,12,21H,11H2
InChIKeyXDXNMOGAXGHSEP-UHFFFAOYSA-N
XLogP4.84
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.24
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 10017019
3-Imidazol-1-ylmethyl-1H-indole
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Nortopsentin B
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UK 34787
CID 194468
N-(3-bromophenyl)-5H-pyrimido[5,4-b]indol-4-amine
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N-(3-bromophenyl)-5-methyl-5H-pyrimido[5,4-b]indol-4-amine
CID 5328386
2-(1-Imidazol-1-yl-ethyl)-9H-carbazole
CID 18976091
7-Bromo-1,10-dihydropyrrolo[2,3-a]carbazole
CID 44479463
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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(5-phenylimidazol-1-yl)methyl]-1H-indole?
The IUPAC name of 5-bromo-2-[(5-phenylimidazol-1-yl)methyl]-1H-indole (CID 142619922) is 5-bromo-2-[(5-phenylimidazol-1-yl)methyl]-1H-indole.
What is the SMILES notation for 5-bromo-2-[(5-phenylimidazol-1-yl)methyl]-1H-indole?
The canonical SMILES for 5-bromo-2-[(5-phenylimidazol-1-yl)methyl]-1H-indole is Brc1ccc2[nH]c(Cn3cncc3-c3ccccc3)cc2c1.
What is the InChIKey of 5-bromo-2-[(5-phenylimidazol-1-yl)methyl]-1H-indole?
The InChIKey is XDXNMOGAXGHSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrN3/c19-15-6-7-17-14(8-15)9-16(21-17)11-22-12-20-10-18(22)13-4-2-1-3-5-13/h1-10,12,21H,11H2.
What are the key properties of 5-bromo-2-[(5-phenylimidazol-1-yl)methyl]-1H-indole?
5-bromo-2-[(5-phenylimidazol-1-yl)methyl]-1H-indole has a molecular weight of 352.24 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(5-phenylimidazol-1-yl)methyl]-1H-indole is sourced from PubChem (CID 142619922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).