1-[(2,5-dimethylphenyl)methyl]-5,6-dimethylbenzimidazole

C18H20N2 — CID 962383

IUPAC1-[(2,5-dimethylphenyl)methyl]-5,6-dimethylbenzimidazole
SMILESCc1ccc(C)c(Cn2cnc3cc(C)c(C)cc32)c1
InChIInChI=1S/C18H20N2/c1-12-5-6-13(2)16(7-12)10-20-11-19-17-8-14(3)15(4)9-18(17)20/h5-9,11H,10H2,1-4H3
InChIKeyMJKGYZWSISNLMO-UHFFFAOYSA-N
MW264.37 g/mol
LogP4.32
Rot. Bonds2

About 1-[(2,5-dimethylphenyl)methyl]-5,6-dimethylbenzimidazole

1-[(2,5-dimethylphenyl)methyl]-5,6-dimethylbenzimidazole (PubChem CID 962383) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[(2,5-dimethylphenyl)methyl]-5,6-dimethylbenzimidazole.

Molecular Properties

Compound Name1-[(2,5-dimethylphenyl)methyl]-5,6-dimethylbenzimidazole
PubChem CID962383
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC Name1-[(2,5-dimethylphenyl)methyl]-5,6-dimethylbenzimidazole
SMILESCc1ccc(C)c(Cn2cnc3cc(C)c(C)cc32)c1
InChIInChI=1S/C18H20N2/c1-12-5-6-13(2)16(7-12)10-20-11-19-17-8-14(3)15(4)9-18(17)20/h5-9,11H,10H2,1-4H3
InChIKeyMJKGYZWSISNLMO-UHFFFAOYSA-N
XLogP4.32
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethylphenyl)methyl]-5,6-dimethylbenzimidazole?
The IUPAC name of 1-[(2,5-dimethylphenyl)methyl]-5,6-dimethylbenzimidazole (CID 962383) is 1-[(2,5-dimethylphenyl)methyl]-5,6-dimethylbenzimidazole.
What is the SMILES notation for 1-[(2,5-dimethylphenyl)methyl]-5,6-dimethylbenzimidazole?
The canonical SMILES for 1-[(2,5-dimethylphenyl)methyl]-5,6-dimethylbenzimidazole is Cc1ccc(C)c(Cn2cnc3cc(C)c(C)cc32)c1.
What is the InChIKey of 1-[(2,5-dimethylphenyl)methyl]-5,6-dimethylbenzimidazole?
The InChIKey is MJKGYZWSISNLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2/c1-12-5-6-13(2)16(7-12)10-20-11-19-17-8-14(3)15(4)9-18(17)20/h5-9,11H,10H2,1-4H3.
What are the key properties of 1-[(2,5-dimethylphenyl)methyl]-5,6-dimethylbenzimidazole?
1-[(2,5-dimethylphenyl)methyl]-5,6-dimethylbenzimidazole has a molecular weight of 264.37 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethylphenyl)methyl]-5,6-dimethylbenzimidazole is sourced from PubChem (CID 962383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).