6-bromo-2-[2-(4-methylphenyl)ethyl]-1H-benzimidazole

C16H15BrN2 — CID 64723336

IUPAC6-bromo-2-[2-(4-methylphenyl)ethyl]-1H-benzimidazole
SMILESCc1ccc(CCc2nc3ccc(Br)cc3[nH]2)cc1
InChIInChI=1S/C16H15BrN2/c1-11-2-4-12(5-3-11)6-9-16-18-14-8-7-13(17)10-15(14)19-16/h2-5,7-8,10H,6,9H2,1H3,(H,18,19)
InChIKeyGEUMQFIKVJWJDN-UHFFFAOYSA-N
MW315.21 g/mol
LogP4.42
Rot. Bonds3

About 6-bromo-2-[2-(4-methylphenyl)ethyl]-1H-benzimidazole

6-bromo-2-[2-(4-methylphenyl)ethyl]-1H-benzimidazole (PubChem CID 64723336) has the molecular formula C16H15BrN2 and a molecular weight of 315.21 g/mol. Its IUPAC name is 6-bromo-2-[2-(4-methylphenyl)ethyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-bromo-2-[2-(4-methylphenyl)ethyl]-1H-benzimidazole
PubChem CID64723336
Molecular FormulaC16H15BrN2
Molecular Weight315.21 g/mol
Exact Mass314.04
IUPAC Name6-bromo-2-[2-(4-methylphenyl)ethyl]-1H-benzimidazole
SMILESCc1ccc(CCc2nc3ccc(Br)cc3[nH]2)cc1
InChIInChI=1S/C16H15BrN2/c1-11-2-4-12(5-3-11)6-9-16-18-14-8-7-13(17)10-15(14)19-16/h2-5,7-8,10H,6,9H2,1H3,(H,18,19)
InChIKeyGEUMQFIKVJWJDN-UHFFFAOYSA-N
XLogP4.42
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 12132
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6-Bromo-2-trifluoromethyl-1H-benzoimidazole
CID 19343
2-(2-Methylphenyl)-1H-benzimidazole
CID 200946
Zln005
CID 899323
2-(1H-benzimidazol-2-yl)aniline
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3-(1H-1,3-benzodiazol-2-yl)aniline
CID 348695
5-(1H-1,3-benzodiazol-2-yl)-2-methylaniline
CID 721011
2-(4'-Amidinobiphenyl-4-YL)-1H-benzimidazole-5-amidine
CID 5327049
Stk857277
CID 950737

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-[2-(4-methylphenyl)ethyl]-1H-benzimidazole?
The IUPAC name of 6-bromo-2-[2-(4-methylphenyl)ethyl]-1H-benzimidazole (CID 64723336) is 6-bromo-2-[2-(4-methylphenyl)ethyl]-1H-benzimidazole.
What is the SMILES notation for 6-bromo-2-[2-(4-methylphenyl)ethyl]-1H-benzimidazole?
The canonical SMILES for 6-bromo-2-[2-(4-methylphenyl)ethyl]-1H-benzimidazole is Cc1ccc(CCc2nc3ccc(Br)cc3[nH]2)cc1.
What is the InChIKey of 6-bromo-2-[2-(4-methylphenyl)ethyl]-1H-benzimidazole?
The InChIKey is GEUMQFIKVJWJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2/c1-11-2-4-12(5-3-11)6-9-16-18-14-8-7-13(17)10-15(14)19-16/h2-5,7-8,10H,6,9H2,1H3,(H,18,19).
What are the key properties of 6-bromo-2-[2-(4-methylphenyl)ethyl]-1H-benzimidazole?
6-bromo-2-[2-(4-methylphenyl)ethyl]-1H-benzimidazole has a molecular weight of 315.21 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-[2-(4-methylphenyl)ethyl]-1H-benzimidazole is sourced from PubChem (CID 64723336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).