2,5-dimethyl-2-(3-methylbutyl)benzimidazole

C14H20N2 — CID 71153212

IUPAC2,5-dimethyl-2-(3-methylbutyl)benzimidazole
SMILESCc1ccc2c(c1)=NC(C)(CCC(C)C)N=2
InChIInChI=1S/C14H20N2/c1-10(2)7-8-14(4)15-12-6-5-11(3)9-13(12)16-14/h5-6,9-10H,7-8H2,1-4H3
InChIKeyTZROAZHHAHTFAH-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.40
Rot. Bonds3

About 2,5-dimethyl-2-(3-methylbutyl)benzimidazole

2,5-dimethyl-2-(3-methylbutyl)benzimidazole (PubChem CID 71153212) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 2,5-dimethyl-2-(3-methylbutyl)benzimidazole.

Molecular Properties

Compound Name2,5-dimethyl-2-(3-methylbutyl)benzimidazole
PubChem CID71153212
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name2,5-dimethyl-2-(3-methylbutyl)benzimidazole
SMILESCc1ccc2c(c1)=NC(C)(CCC(C)C)N=2
InChIInChI=1S/C14H20N2/c1-10(2)7-8-14(4)15-12-6-5-11(3)9-13(12)16-14/h5-6,9-10H,7-8H2,1-4H3
InChIKeyTZROAZHHAHTFAH-UHFFFAOYSA-N
XLogP2.40
TPSA24.72 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 ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-2-(3-methylbutyl)benzimidazole?
The IUPAC name of 2,5-dimethyl-2-(3-methylbutyl)benzimidazole (CID 71153212) is 2,5-dimethyl-2-(3-methylbutyl)benzimidazole.
What is the SMILES notation for 2,5-dimethyl-2-(3-methylbutyl)benzimidazole?
The canonical SMILES for 2,5-dimethyl-2-(3-methylbutyl)benzimidazole is Cc1ccc2c(c1)=NC(C)(CCC(C)C)N=2.
What is the InChIKey of 2,5-dimethyl-2-(3-methylbutyl)benzimidazole?
The InChIKey is TZROAZHHAHTFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-10(2)7-8-14(4)15-12-6-5-11(3)9-13(12)16-14/h5-6,9-10H,7-8H2,1-4H3.
What are the key properties of 2,5-dimethyl-2-(3-methylbutyl)benzimidazole?
2,5-dimethyl-2-(3-methylbutyl)benzimidazole has a molecular weight of 216.33 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-2-(3-methylbutyl)benzimidazole is sourced from PubChem (CID 71153212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).