2-[(3-chlorophenyl)methyl]-4,6-dimethyl-1H-benzimidazole

C16H15ClN2 — CID 82946873

IUPAC2-[(3-chlorophenyl)methyl]-4,6-dimethyl-1H-benzimidazole
SMILESCc1cc(C)c2nc(Cc3cccc(Cl)c3)[nH]c2c1
InChIInChI=1S/C16H15ClN2/c1-10-6-11(2)16-14(7-10)18-15(19-16)9-12-4-3-5-13(17)8-12/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeyJQMCOTJYAUTHNR-UHFFFAOYSA-N
MW270.76 g/mol
LogP4.42
Rot. Bonds2

About 2-[(3-chlorophenyl)methyl]-4,6-dimethyl-1H-benzimidazole

2-[(3-chlorophenyl)methyl]-4,6-dimethyl-1H-benzimidazole (PubChem CID 82946873) has the molecular formula C16H15ClN2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl]-4,6-dimethyl-1H-benzimidazole.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl]-4,6-dimethyl-1H-benzimidazole
PubChem CID82946873
Molecular FormulaC16H15ClN2
Molecular Weight270.76 g/mol
Exact Mass270.09
IUPAC Name2-[(3-chlorophenyl)methyl]-4,6-dimethyl-1H-benzimidazole
SMILESCc1cc(C)c2nc(Cc3cccc(Cl)c3)[nH]c2c1
InChIInChI=1S/C16H15ClN2/c1-10-6-11(2)16-14(7-10)18-15(19-16)9-12-4-3-5-13(17)8-12/h3-8H,9H2,1-2H3,(H,18,19)
InChIKeyJQMCOTJYAUTHNR-UHFFFAOYSA-N
XLogP4.42
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl]-4,6-dimethyl-1H-benzimidazole?
The IUPAC name of 2-[(3-chlorophenyl)methyl]-4,6-dimethyl-1H-benzimidazole (CID 82946873) is 2-[(3-chlorophenyl)methyl]-4,6-dimethyl-1H-benzimidazole.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl]-4,6-dimethyl-1H-benzimidazole?
The canonical SMILES for 2-[(3-chlorophenyl)methyl]-4,6-dimethyl-1H-benzimidazole is Cc1cc(C)c2nc(Cc3cccc(Cl)c3)[nH]c2c1.
What is the InChIKey of 2-[(3-chlorophenyl)methyl]-4,6-dimethyl-1H-benzimidazole?
The InChIKey is JQMCOTJYAUTHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2/c1-10-6-11(2)16-14(7-10)18-15(19-16)9-12-4-3-5-13(17)8-12/h3-8H,9H2,1-2H3,(H,18,19).
What are the key properties of 2-[(3-chlorophenyl)methyl]-4,6-dimethyl-1H-benzimidazole?
2-[(3-chlorophenyl)methyl]-4,6-dimethyl-1H-benzimidazole has a molecular weight of 270.76 g/mol, XLogP of 4.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl]-4,6-dimethyl-1H-benzimidazole is sourced from PubChem (CID 82946873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).