6-bromo-2-(chloromethyl)-1-[(3-methyl-2-pyridinyl)methyl]benzimidazole

C15H13BrClN3 — CID 65346157

IUPAC6-bromo-2-(chloromethyl)-1-[(3-methyl-2-pyridinyl)methyl]benzimidazole
SMILESCc1cccnc1Cn1c(CCl)nc2ccc(Br)cc21
InChIInChI=1S/C15H13BrClN3/c1-10-3-2-6-18-13(10)9-20-14-7-11(16)4-5-12(14)19-15(20)8-17/h2-7H,8-9H2,1H3
InChIKeyHFTNRMKJVFHQEN-UHFFFAOYSA-N
MW350.65 g/mol
LogP4.29
Rot. Bonds3

About 6-bromo-2-(chloromethyl)-1-[(3-methyl-2-pyridinyl)methyl]benzimidazole

6-bromo-2-(chloromethyl)-1-[(3-methyl-2-pyridinyl)methyl]benzimidazole (PubChem CID 65346157) has the molecular formula C15H13BrClN3 and a molecular weight of 350.65 g/mol. Its IUPAC name is 6-bromo-2-(chloromethyl)-1-[(3-methyl-2-pyridinyl)methyl]benzimidazole.

Molecular Properties

Compound Name6-bromo-2-(chloromethyl)-1-[(3-methyl-2-pyridinyl)methyl]benzimidazole
PubChem CID65346157
Molecular FormulaC15H13BrClN3
Molecular Weight350.65 g/mol
Exact Mass349.00
IUPAC Name6-bromo-2-(chloromethyl)-1-[(3-methyl-2-pyridinyl)methyl]benzimidazole
SMILESCc1cccnc1Cn1c(CCl)nc2ccc(Br)cc21
InChIInChI=1S/C15H13BrClN3/c1-10-3-2-6-18-13(10)9-20-14-7-11(16)4-5-12(14)19-15(20)8-17/h2-7H,8-9H2,1H3
InChIKeyHFTNRMKJVFHQEN-UHFFFAOYSA-N
XLogP4.29
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.65
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(chloromethyl)-1-[(3-methyl-2-pyridinyl)methyl]benzimidazole?
The IUPAC name of 6-bromo-2-(chloromethyl)-1-[(3-methyl-2-pyridinyl)methyl]benzimidazole (CID 65346157) is 6-bromo-2-(chloromethyl)-1-[(3-methyl-2-pyridinyl)methyl]benzimidazole.
What is the SMILES notation for 6-bromo-2-(chloromethyl)-1-[(3-methyl-2-pyridinyl)methyl]benzimidazole?
The canonical SMILES for 6-bromo-2-(chloromethyl)-1-[(3-methyl-2-pyridinyl)methyl]benzimidazole is Cc1cccnc1Cn1c(CCl)nc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-2-(chloromethyl)-1-[(3-methyl-2-pyridinyl)methyl]benzimidazole?
The InChIKey is HFTNRMKJVFHQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClN3/c1-10-3-2-6-18-13(10)9-20-14-7-11(16)4-5-12(14)19-15(20)8-17/h2-7H,8-9H2,1H3.
What are the key properties of 6-bromo-2-(chloromethyl)-1-[(3-methyl-2-pyridinyl)methyl]benzimidazole?
6-bromo-2-(chloromethyl)-1-[(3-methyl-2-pyridinyl)methyl]benzimidazole has a molecular weight of 350.65 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(chloromethyl)-1-[(3-methyl-2-pyridinyl)methyl]benzimidazole is sourced from PubChem (CID 65346157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).