1-[(4-bromophenyl)methyl]-2-methylbenzimidazole

C15H13BrN2 — CID 743662

IUPAC1-[(4-bromophenyl)methyl]-2-methylbenzimidazole
SMILESCc1nc2ccccc2n1Cc1ccc(Br)cc1
InChIInChI=1S/C15H13BrN2/c1-11-17-14-4-2-3-5-15(14)18(11)10-12-6-8-13(16)9-7-12/h2-9H,10H2,1H3
InChIKeyRAVKGVBCSWBESJ-UHFFFAOYSA-N
MW301.19 g/mol
LogP4.16
Rot. Bonds2

About 1-[(4-bromophenyl)methyl]-2-methylbenzimidazole

1-[(4-bromophenyl)methyl]-2-methylbenzimidazole (PubChem CID 743662) has the molecular formula C15H13BrN2 and a molecular weight of 301.19 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-2-methylbenzimidazole.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-2-methylbenzimidazole
PubChem CID743662
Molecular FormulaC15H13BrN2
Molecular Weight301.19 g/mol
Exact Mass300.03
IUPAC Name1-[(4-bromophenyl)methyl]-2-methylbenzimidazole
SMILESCc1nc2ccccc2n1Cc1ccc(Br)cc1
InChIInChI=1S/C15H13BrN2/c1-11-17-14-4-2-3-5-15(14)18(11)10-12-6-8-13(16)9-7-12/h2-9H,10H2,1H3
InChIKeyRAVKGVBCSWBESJ-UHFFFAOYSA-N
XLogP4.16
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.19
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-2-methylbenzimidazole?
The IUPAC name of 1-[(4-bromophenyl)methyl]-2-methylbenzimidazole (CID 743662) is 1-[(4-bromophenyl)methyl]-2-methylbenzimidazole.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-2-methylbenzimidazole?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-2-methylbenzimidazole is Cc1nc2ccccc2n1Cc1ccc(Br)cc1.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-2-methylbenzimidazole?
The InChIKey is RAVKGVBCSWBESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2/c1-11-17-14-4-2-3-5-15(14)18(11)10-12-6-8-13(16)9-7-12/h2-9H,10H2,1H3.
What are the key properties of 1-[(4-bromophenyl)methyl]-2-methylbenzimidazole?
1-[(4-bromophenyl)methyl]-2-methylbenzimidazole has a molecular weight of 301.19 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]-2-methylbenzimidazole is sourced from PubChem (CID 743662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).