1-[1-(2-methylphenyl)butan-2-yl]benzimidazole

C18H20N2 — CID 173454570

IUPAC1-[1-(2-methylphenyl)butan-2-yl]benzimidazole
SMILESCCC(Cc1ccccc1C)n1cnc2ccccc21
InChIInChI=1S/C18H20N2/c1-3-16(12-15-9-5-4-8-14(15)2)20-13-19-17-10-6-7-11-18(17)20/h4-11,13,16H,3,12H2,1-2H3
InChIKeyMHERBIQKRLEWKA-UHFFFAOYSA-N
MW264.37 g/mol
LogP4.54
Rot. Bonds4

About 1-[1-(2-methylphenyl)butan-2-yl]benzimidazole

1-[1-(2-methylphenyl)butan-2-yl]benzimidazole (PubChem CID 173454570) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[1-(2-methylphenyl)butan-2-yl]benzimidazole.

Molecular Properties

Compound Name1-[1-(2-methylphenyl)butan-2-yl]benzimidazole
PubChem CID173454570
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC Name1-[1-(2-methylphenyl)butan-2-yl]benzimidazole
SMILESCCC(Cc1ccccc1C)n1cnc2ccccc21
InChIInChI=1S/C18H20N2/c1-3-16(12-15-9-5-4-8-14(15)2)20-13-19-17-10-6-7-11-18(17)20/h4-11,13,16H,3,12H2,1-2H3
InChIKeyMHERBIQKRLEWKA-UHFFFAOYSA-N
XLogP4.54
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylphenyl)butan-2-yl]benzimidazole?
The IUPAC name of 1-[1-(2-methylphenyl)butan-2-yl]benzimidazole (CID 173454570) is 1-[1-(2-methylphenyl)butan-2-yl]benzimidazole.
What is the SMILES notation for 1-[1-(2-methylphenyl)butan-2-yl]benzimidazole?
The canonical SMILES for 1-[1-(2-methylphenyl)butan-2-yl]benzimidazole is CCC(Cc1ccccc1C)n1cnc2ccccc21.
What is the InChIKey of 1-[1-(2-methylphenyl)butan-2-yl]benzimidazole?
The InChIKey is MHERBIQKRLEWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2/c1-3-16(12-15-9-5-4-8-14(15)2)20-13-19-17-10-6-7-11-18(17)20/h4-11,13,16H,3,12H2,1-2H3.
What are the key properties of 1-[1-(2-methylphenyl)butan-2-yl]benzimidazole?
1-[1-(2-methylphenyl)butan-2-yl]benzimidazole has a molecular weight of 264.37 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylphenyl)butan-2-yl]benzimidazole is sourced from PubChem (CID 173454570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).