5-bromo-2-(2,3-dihydro-1H-indol-5-yl)-1-methylbenzimidazole

C16H14BrN3 — CID 60784272

IUPAC5-bromo-2-(2,3-dihydro-1H-indol-5-yl)-1-methylbenzimidazole
SMILESCn1c(-c2ccc3c(c2)CCN3)nc2cc(Br)ccc21
InChIInChI=1S/C16H14BrN3/c1-20-15-5-3-12(17)9-14(15)19-16(20)11-2-4-13-10(8-11)6-7-18-13/h2-5,8-9,18H,6-7H2,1H3
InChIKeyJVSJYQCFMQXEBW-UHFFFAOYSA-N
MW328.21 g/mol
LogP3.97
Rot. Bonds1

About 5-bromo-2-(2,3-dihydro-1H-indol-5-yl)-1-methylbenzimidazole

5-bromo-2-(2,3-dihydro-1H-indol-5-yl)-1-methylbenzimidazole (PubChem CID 60784272) has the molecular formula C16H14BrN3 and a molecular weight of 328.21 g/mol. Its IUPAC name is 5-bromo-2-(2,3-dihydro-1H-indol-5-yl)-1-methylbenzimidazole.

Molecular Properties

Compound Name5-bromo-2-(2,3-dihydro-1H-indol-5-yl)-1-methylbenzimidazole
PubChem CID60784272
Molecular FormulaC16H14BrN3
Molecular Weight328.21 g/mol
Exact Mass327.04
IUPAC Name5-bromo-2-(2,3-dihydro-1H-indol-5-yl)-1-methylbenzimidazole
SMILESCn1c(-c2ccc3c(c2)CCN3)nc2cc(Br)ccc21
InChIInChI=1S/C16H14BrN3/c1-20-15-5-3-12(17)9-14(15)19-16(20)11-2-4-13-10(8-11)6-7-18-13/h2-5,8-9,18H,6-7H2,1H3
InChIKeyJVSJYQCFMQXEBW-UHFFFAOYSA-N
XLogP3.97
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2,3-dihydro-1H-indol-5-yl)-1-methylbenzimidazole?
The IUPAC name of 5-bromo-2-(2,3-dihydro-1H-indol-5-yl)-1-methylbenzimidazole (CID 60784272) is 5-bromo-2-(2,3-dihydro-1H-indol-5-yl)-1-methylbenzimidazole.
What is the SMILES notation for 5-bromo-2-(2,3-dihydro-1H-indol-5-yl)-1-methylbenzimidazole?
The canonical SMILES for 5-bromo-2-(2,3-dihydro-1H-indol-5-yl)-1-methylbenzimidazole is Cn1c(-c2ccc3c(c2)CCN3)nc2cc(Br)ccc21.
What is the InChIKey of 5-bromo-2-(2,3-dihydro-1H-indol-5-yl)-1-methylbenzimidazole?
The InChIKey is JVSJYQCFMQXEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3/c1-20-15-5-3-12(17)9-14(15)19-16(20)11-2-4-13-10(8-11)6-7-18-13/h2-5,8-9,18H,6-7H2,1H3.
What are the key properties of 5-bromo-2-(2,3-dihydro-1H-indol-5-yl)-1-methylbenzimidazole?
5-bromo-2-(2,3-dihydro-1H-indol-5-yl)-1-methylbenzimidazole has a molecular weight of 328.21 g/mol, XLogP of 3.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2,3-dihydro-1H-indol-5-yl)-1-methylbenzimidazole is sourced from PubChem (CID 60784272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).