6-methyl-5-phenyl-1H-benzimidazole

C14H12N2 — CID 20784905

IUPAC6-methyl-5-phenyl-1H-benzimidazole
SMILESCc1cc2[nH]cnc2cc1-c1ccccc1
InChIInChI=1S/C14H12N2/c1-10-7-13-14(16-9-15-13)8-12(10)11-5-3-2-4-6-11/h2-9H,1H3,(H,15,16)
InChIKeyXHHWJTRCDYEURQ-UHFFFAOYSA-N
MW208.26 g/mol
LogP3.54
Rot. Bonds1

About 6-methyl-5-phenyl-1H-benzimidazole

6-methyl-5-phenyl-1H-benzimidazole (PubChem CID 20784905) has the molecular formula C14H12N2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 6-methyl-5-phenyl-1H-benzimidazole.

Molecular Properties

Compound Name6-methyl-5-phenyl-1H-benzimidazole
PubChem CID20784905
Molecular FormulaC14H12N2
Molecular Weight208.26 g/mol
Exact Mass208.10
IUPAC Name6-methyl-5-phenyl-1H-benzimidazole
SMILESCc1cc2[nH]cnc2cc1-c1ccccc1
InChIInChI=1S/C14H12N2/c1-10-7-13-14(16-9-15-13)8-12(10)11-5-3-2-4-6-11/h2-9H,1H3,(H,15,16)
InChIKeyXHHWJTRCDYEURQ-UHFFFAOYSA-N
XLogP3.54
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-phenyl-1H-benzimidazole?
The IUPAC name of 6-methyl-5-phenyl-1H-benzimidazole (CID 20784905) is 6-methyl-5-phenyl-1H-benzimidazole.
What is the SMILES notation for 6-methyl-5-phenyl-1H-benzimidazole?
The canonical SMILES for 6-methyl-5-phenyl-1H-benzimidazole is Cc1cc2[nH]cnc2cc1-c1ccccc1.
What is the InChIKey of 6-methyl-5-phenyl-1H-benzimidazole?
The InChIKey is XHHWJTRCDYEURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2/c1-10-7-13-14(16-9-15-13)8-12(10)11-5-3-2-4-6-11/h2-9H,1H3,(H,15,16).
What are the key properties of 6-methyl-5-phenyl-1H-benzimidazole?
6-methyl-5-phenyl-1H-benzimidazole has a molecular weight of 208.26 g/mol, XLogP of 3.54, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-phenyl-1H-benzimidazole is sourced from PubChem (CID 20784905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).