2-methyl-2-propylbenzimidazole

C11H14N2 — CID 89315890

IUPAC2-methyl-2-propylbenzimidazole
SMILESCCCC1(C)N=c2ccccc2=N1
InChIInChI=1S/C11H14N2/c1-3-8-11(2)12-9-6-4-5-7-10(9)13-11/h4-7H,3,8H2,1-2H3
InChIKeyBREGQQKJGBEPAT-UHFFFAOYSA-N
MW174.25 g/mol
LogP1.46
Rot. Bonds2

About 2-methyl-2-propylbenzimidazole

2-methyl-2-propylbenzimidazole (PubChem CID 89315890) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 2-methyl-2-propylbenzimidazole.

Molecular Properties

Compound Name2-methyl-2-propylbenzimidazole
PubChem CID89315890
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name2-methyl-2-propylbenzimidazole
SMILESCCCC1(C)N=c2ccccc2=N1
InChIInChI=1S/C11H14N2/c1-3-8-11(2)12-9-6-4-5-7-10(9)13-11/h4-7H,3,8H2,1-2H3
InChIKeyBREGQQKJGBEPAT-UHFFFAOYSA-N
XLogP1.46
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-propylbenzimidazole?
The IUPAC name of 2-methyl-2-propylbenzimidazole (CID 89315890) is 2-methyl-2-propylbenzimidazole.
What is the SMILES notation for 2-methyl-2-propylbenzimidazole?
The canonical SMILES for 2-methyl-2-propylbenzimidazole is CCCC1(C)N=c2ccccc2=N1.
What is the InChIKey of 2-methyl-2-propylbenzimidazole?
The InChIKey is BREGQQKJGBEPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-3-8-11(2)12-9-6-4-5-7-10(9)13-11/h4-7H,3,8H2,1-2H3.
What are the key properties of 2-methyl-2-propylbenzimidazole?
2-methyl-2-propylbenzimidazole has a molecular weight of 174.25 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-propylbenzimidazole is sourced from PubChem (CID 89315890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).