1-[(2,5-dimethylphenyl)methyl]-2-ethylbenzimidazole

C18H20N2 — CID 962442

IUPAC1-[(2,5-dimethylphenyl)methyl]-2-ethylbenzimidazole
SMILESCCc1nc2ccccc2n1Cc1cc(C)ccc1C
InChIInChI=1S/C18H20N2/c1-4-18-19-16-7-5-6-8-17(16)20(18)12-15-11-13(2)9-10-14(15)3/h5-11H,4,12H2,1-3H3
InChIKeyNFRRITIZIYJROH-UHFFFAOYSA-N
MW264.37 g/mol
LogP4.26
Rot. Bonds3

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

1-[(2,5-dimethylphenyl)methyl]-2-ethylbenzimidazole (PubChem CID 962442) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[(2,5-dimethylphenyl)methyl]-2-ethylbenzimidazole.

Molecular Properties

Compound Name1-[(2,5-dimethylphenyl)methyl]-2-ethylbenzimidazole
PubChem CID962442
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC Name1-[(2,5-dimethylphenyl)methyl]-2-ethylbenzimidazole
SMILESCCc1nc2ccccc2n1Cc1cc(C)ccc1C
InChIInChI=1S/C18H20N2/c1-4-18-19-16-7-5-6-8-17(16)20(18)12-15-11-13(2)9-10-14(15)3/h5-11H,4,12H2,1-3H3
InChIKeyNFRRITIZIYJROH-UHFFFAOYSA-N
XLogP4.26
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-chlorophenyl)methyl]-1-[(2,5-dimethylphenyl)methyl]benzimidazole
CID 16995673
2-cyclopropyl-1-[(2,5-dimethylphenyl)methyl]benzimidazole
CID 18878588
N-[[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]methyl]prop-2-enamide
CID 16972214
1-[(2,5-dimethylphenyl)methyl]-2-phenylsulfanylbenzimidazole
CID 90026832
N-[5-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]pentyl]butanamide
CID 16988157
N-[3-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]propyl]-2-(2-methylphenyl)acetamide
CID 16985043
N-[5-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]pentyl]-2,2-dimethylpropanamide
CID 16988805
2-(3-chlorophenyl)-1-[(2,5-dimethylphenyl)methyl]benzimidazole
CID 17001968
4-bromo-N-[3-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide
CID 16984734
N-[3-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]propyl]pyridine-2-carboxamide
CID 16966196
1-[(4-methylphenyl)methyl]-2-propylbenzimidazole
CID 884778
9-[(2,5-dimethylphenyl)methyl]carbazole
CID 174908792

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethylphenyl)methyl]-2-ethylbenzimidazole?
The IUPAC name of 1-[(2,5-dimethylphenyl)methyl]-2-ethylbenzimidazole (CID 962442) is 1-[(2,5-dimethylphenyl)methyl]-2-ethylbenzimidazole.
What is the SMILES notation for 1-[(2,5-dimethylphenyl)methyl]-2-ethylbenzimidazole?
The canonical SMILES for 1-[(2,5-dimethylphenyl)methyl]-2-ethylbenzimidazole is CCc1nc2ccccc2n1Cc1cc(C)ccc1C.
What is the InChIKey of 1-[(2,5-dimethylphenyl)methyl]-2-ethylbenzimidazole?
The InChIKey is NFRRITIZIYJROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2/c1-4-18-19-16-7-5-6-8-17(16)20(18)12-15-11-13(2)9-10-14(15)3/h5-11H,4,12H2,1-3H3.
What are the key properties of 1-[(2,5-dimethylphenyl)methyl]-2-ethylbenzimidazole?
1-[(2,5-dimethylphenyl)methyl]-2-ethylbenzimidazole has a molecular weight of 264.37 g/mol, XLogP of 4.26, 3 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]-2-ethylbenzimidazole is sourced from PubChem (CID 962442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).