1,4-dimethyl-2-(3-methylbutyl)benzimidazole

C14H20N2 — CID 22734749

IUPAC1,4-dimethyl-2-(3-methylbutyl)benzimidazole
SMILESCc1cccc2c1nc(CCC(C)C)n2C
InChIInChI=1S/C14H20N2/c1-10(2)8-9-13-15-14-11(3)6-5-7-12(14)16(13)4/h5-7,10H,8-9H2,1-4H3
InChIKeyVLBWEFDEIXZKPA-UHFFFAOYSA-N
MW216.33 g/mol
LogP3.47
Rot. Bonds3

About 1,4-dimethyl-2-(3-methylbutyl)benzimidazole

1,4-dimethyl-2-(3-methylbutyl)benzimidazole (PubChem CID 22734749) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 1,4-dimethyl-2-(3-methylbutyl)benzimidazole.

Molecular Properties

Compound Name1,4-dimethyl-2-(3-methylbutyl)benzimidazole
PubChem CID22734749
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name1,4-dimethyl-2-(3-methylbutyl)benzimidazole
SMILESCc1cccc2c1nc(CCC(C)C)n2C
InChIInChI=1S/C14H20N2/c1-10(2)8-9-13-15-14-11(3)6-5-7-12(14)16(13)4/h5-7,10H,8-9H2,1-4H3
InChIKeyVLBWEFDEIXZKPA-UHFFFAOYSA-N
XLogP3.47
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-2-(3-methylbutyl)benzimidazole?
The IUPAC name of 1,4-dimethyl-2-(3-methylbutyl)benzimidazole (CID 22734749) is 1,4-dimethyl-2-(3-methylbutyl)benzimidazole.
What is the SMILES notation for 1,4-dimethyl-2-(3-methylbutyl)benzimidazole?
The canonical SMILES for 1,4-dimethyl-2-(3-methylbutyl)benzimidazole is Cc1cccc2c1nc(CCC(C)C)n2C.
What is the InChIKey of 1,4-dimethyl-2-(3-methylbutyl)benzimidazole?
The InChIKey is VLBWEFDEIXZKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-10(2)8-9-13-15-14-11(3)6-5-7-12(14)16(13)4/h5-7,10H,8-9H2,1-4H3.
What are the key properties of 1,4-dimethyl-2-(3-methylbutyl)benzimidazole?
1,4-dimethyl-2-(3-methylbutyl)benzimidazole has a molecular weight of 216.33 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2-(3-methylbutyl)benzimidazole is sourced from PubChem (CID 22734749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).