6-bromo-4-methyl-2-(2-pyridin-2-ylethyl)-1H-benzimidazole

C15H14BrN3 — CID 104574434

IUPAC6-bromo-4-methyl-2-(2-pyridin-2-ylethyl)-1H-benzimidazole
SMILESCc1cc(Br)cc2[nH]c(CCc3ccccn3)nc12
InChIInChI=1S/C15H14BrN3/c1-10-8-11(16)9-13-15(10)19-14(18-13)6-5-12-4-2-3-7-17-12/h2-4,7-9H,5-6H2,1H3,(H,18,19)
InChIKeyDQENBPZKAORPID-UHFFFAOYSA-N
MW316.20 g/mol
LogP3.81
Rot. Bonds3

About 6-bromo-4-methyl-2-(2-pyridin-2-ylethyl)-1H-benzimidazole

6-bromo-4-methyl-2-(2-pyridin-2-ylethyl)-1H-benzimidazole (PubChem CID 104574434) has the molecular formula C15H14BrN3 and a molecular weight of 316.20 g/mol. Its IUPAC name is 6-bromo-4-methyl-2-(2-pyridin-2-ylethyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-bromo-4-methyl-2-(2-pyridin-2-ylethyl)-1H-benzimidazole
PubChem CID104574434
Molecular FormulaC15H14BrN3
Molecular Weight316.20 g/mol
Exact Mass315.04
IUPAC Name6-bromo-4-methyl-2-(2-pyridin-2-ylethyl)-1H-benzimidazole
SMILESCc1cc(Br)cc2[nH]c(CCc3ccccn3)nc12
InChIInChI=1S/C15H14BrN3/c1-10-8-11(16)9-13-15(10)19-14(18-13)6-5-12-4-2-3-7-17-12/h2-4,7-9H,5-6H2,1H3,(H,18,19)
InChIKeyDQENBPZKAORPID-UHFFFAOYSA-N
XLogP3.81
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-4-methyl-2-(2-methylsulfanylethyl)-1H-benzimidazole
CID 104574519
4-(6-bromo-4-methyl-1H-benzimidazol-2-yl)butan-1-amine
CID 104574246
4-fluoro-2-(2-pyridin-2-ylethyl)-1H-benzimidazole
CID 114289881
3-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-N-methylpropan-1-amine
CID 104574138
6-bromo-4-methyl-2-(2-propoxyethyl)-1H-benzimidazole
CID 104574604
6-bromo-4-methyl-2-(3-methyl-2-pyridinyl)-1H-benzimidazole
CID 113428441
6-bromo-2-[(3-fluorophenyl)methyl]-4-methyl-1H-benzimidazole
CID 104574451
3-[2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)ethyl]-4-methylpentan-1-amine
CID 104574108
1-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-3-methylbutan-2-amine
CID 113428425
6-bromo-4-methyl-2-(2,3,3-trimethylbutyl)-1H-benzimidazole
CID 113428442
2-[2-[4-bromo-2-(bromomethyl)-6-methylphenoxy]ethyl]pyridine
CID 112621371
[5-bromo-3-methyl-2-(2-pyridin-2-ylethoxy)phenyl]methanol
CID 112620933

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-methyl-2-(2-pyridin-2-ylethyl)-1H-benzimidazole?
The IUPAC name of 6-bromo-4-methyl-2-(2-pyridin-2-ylethyl)-1H-benzimidazole (CID 104574434) is 6-bromo-4-methyl-2-(2-pyridin-2-ylethyl)-1H-benzimidazole.
What is the SMILES notation for 6-bromo-4-methyl-2-(2-pyridin-2-ylethyl)-1H-benzimidazole?
The canonical SMILES for 6-bromo-4-methyl-2-(2-pyridin-2-ylethyl)-1H-benzimidazole is Cc1cc(Br)cc2[nH]c(CCc3ccccn3)nc12.
What is the InChIKey of 6-bromo-4-methyl-2-(2-pyridin-2-ylethyl)-1H-benzimidazole?
The InChIKey is DQENBPZKAORPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3/c1-10-8-11(16)9-13-15(10)19-14(18-13)6-5-12-4-2-3-7-17-12/h2-4,7-9H,5-6H2,1H3,(H,18,19).
What are the key properties of 6-bromo-4-methyl-2-(2-pyridin-2-ylethyl)-1H-benzimidazole?
6-bromo-4-methyl-2-(2-pyridin-2-ylethyl)-1H-benzimidazole has a molecular weight of 316.20 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-methyl-2-(2-pyridin-2-ylethyl)-1H-benzimidazole is sourced from PubChem (CID 104574434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).