6-bromo-2-[(5,7-dimethyl-1H-indol-4-yl)methyl]-4-fluoro-1H-benzimidazole

C18H15BrFN3 — CID 86701560

IUPAC6-bromo-2-[(5,7-dimethyl-1H-indol-4-yl)methyl]-4-fluoro-1H-benzimidazole
SMILESCc1cc(C)c2[nH]ccc2c1Cc1nc2c(F)cc(Br)cc2[nH]1
InChIInChI=1S/C18H15BrFN3/c1-9-5-10(2)17-12(3-4-21-17)13(9)8-16-22-15-7-11(19)6-14(20)18(15)23-16/h3-7,21H,8H2,1-2H3,(H,22,23)
InChIKeySNYXAWPWDYHNHQ-UHFFFAOYSA-N
MW372.24 g/mol
LogP5.15
Rot. Bonds2

About 6-bromo-2-[(5,7-dimethyl-1H-indol-4-yl)methyl]-4-fluoro-1H-benzimidazole

6-bromo-2-[(5,7-dimethyl-1H-indol-4-yl)methyl]-4-fluoro-1H-benzimidazole (PubChem CID 86701560) has the molecular formula C18H15BrFN3 and a molecular weight of 372.24 g/mol. Its IUPAC name is 6-bromo-2-[(5,7-dimethyl-1H-indol-4-yl)methyl]-4-fluoro-1H-benzimidazole.

Molecular Properties

Compound Name6-bromo-2-[(5,7-dimethyl-1H-indol-4-yl)methyl]-4-fluoro-1H-benzimidazole
PubChem CID86701560
Molecular FormulaC18H15BrFN3
Molecular Weight372.24 g/mol
Exact Mass371.04
IUPAC Name6-bromo-2-[(5,7-dimethyl-1H-indol-4-yl)methyl]-4-fluoro-1H-benzimidazole
SMILESCc1cc(C)c2[nH]ccc2c1Cc1nc2c(F)cc(Br)cc2[nH]1
InChIInChI=1S/C18H15BrFN3/c1-9-5-10(2)17-12(3-4-21-17)13(9)8-16-22-15-7-11(19)6-14(20)18(15)23-16/h3-7,21H,8H2,1-2H3,(H,22,23)
InChIKeySNYXAWPWDYHNHQ-UHFFFAOYSA-N
XLogP5.15
TPSA44.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.24
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-[(5,7-dimethyl-1H-indol-4-yl)methyl]-4-fluoro-1H-benzimidazole?
The IUPAC name of 6-bromo-2-[(5,7-dimethyl-1H-indol-4-yl)methyl]-4-fluoro-1H-benzimidazole (CID 86701560) is 6-bromo-2-[(5,7-dimethyl-1H-indol-4-yl)methyl]-4-fluoro-1H-benzimidazole.
What is the SMILES notation for 6-bromo-2-[(5,7-dimethyl-1H-indol-4-yl)methyl]-4-fluoro-1H-benzimidazole?
The canonical SMILES for 6-bromo-2-[(5,7-dimethyl-1H-indol-4-yl)methyl]-4-fluoro-1H-benzimidazole is Cc1cc(C)c2[nH]ccc2c1Cc1nc2c(F)cc(Br)cc2[nH]1.
What is the InChIKey of 6-bromo-2-[(5,7-dimethyl-1H-indol-4-yl)methyl]-4-fluoro-1H-benzimidazole?
The InChIKey is SNYXAWPWDYHNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrFN3/c1-9-5-10(2)17-12(3-4-21-17)13(9)8-16-22-15-7-11(19)6-14(20)18(15)23-16/h3-7,21H,8H2,1-2H3,(H,22,23).
What are the key properties of 6-bromo-2-[(5,7-dimethyl-1H-indol-4-yl)methyl]-4-fluoro-1H-benzimidazole?
6-bromo-2-[(5,7-dimethyl-1H-indol-4-yl)methyl]-4-fluoro-1H-benzimidazole has a molecular weight of 372.24 g/mol, XLogP of 5.15, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-[(5,7-dimethyl-1H-indol-4-yl)methyl]-4-fluoro-1H-benzimidazole is sourced from PubChem (CID 86701560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).