1-[(2-bromophenyl)methyl]benzimidazole

C14H11BrN2 — CID 771883

IUPAC1-[(2-bromophenyl)methyl]benzimidazole
SMILESBrc1ccccc1Cn1cnc2ccccc21
InChIInChI=1S/C14H11BrN2/c15-12-6-2-1-5-11(12)9-17-10-16-13-7-3-4-8-14(13)17/h1-8,10H,9H2
InChIKeyPZMXPZPMJWOSGF-UHFFFAOYSA-N
MW287.16 g/mol
LogP3.85
Rot. Bonds2

About 1-[(2-bromophenyl)methyl]benzimidazole

1-[(2-bromophenyl)methyl]benzimidazole (PubChem CID 771883) has the molecular formula C14H11BrN2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 1-[(2-bromophenyl)methyl]benzimidazole.

Molecular Properties

Compound Name1-[(2-bromophenyl)methyl]benzimidazole
PubChem CID771883
Molecular FormulaC14H11BrN2
Molecular Weight287.16 g/mol
Exact Mass286.01
IUPAC Name1-[(2-bromophenyl)methyl]benzimidazole
SMILESBrc1ccccc1Cn1cnc2ccccc21
InChIInChI=1S/C14H11BrN2/c15-12-6-2-1-5-11(12)9-17-10-16-13-7-3-4-8-14(13)17/h1-8,10H,9H2
InChIKeyPZMXPZPMJWOSGF-UHFFFAOYSA-N
XLogP3.85
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromophenyl)methyl]benzimidazole?
The IUPAC name of 1-[(2-bromophenyl)methyl]benzimidazole (CID 771883) is 1-[(2-bromophenyl)methyl]benzimidazole.
What is the SMILES notation for 1-[(2-bromophenyl)methyl]benzimidazole?
The canonical SMILES for 1-[(2-bromophenyl)methyl]benzimidazole is Brc1ccccc1Cn1cnc2ccccc21.
What is the InChIKey of 1-[(2-bromophenyl)methyl]benzimidazole?
The InChIKey is PZMXPZPMJWOSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2/c15-12-6-2-1-5-11(12)9-17-10-16-13-7-3-4-8-14(13)17/h1-8,10H,9H2.
What are the key properties of 1-[(2-bromophenyl)methyl]benzimidazole?
1-[(2-bromophenyl)methyl]benzimidazole has a molecular weight of 287.16 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromophenyl)methyl]benzimidazole is sourced from PubChem (CID 771883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).