5-(2-methylpropyl)-3aH-benzimidazole

C11H14N2 — CID 134171584

IUPAC5-(2-methylpropyl)-3aH-benzimidazole
SMILESCC(C)CC1=CC2N=CN=C2C=C1
InChIInChI=1S/C11H14N2/c1-8(2)5-9-3-4-10-11(6-9)13-7-12-10/h3-4,6-8,11H,5H2,1-2H3
InChIKeyWDEUCWYECAYLSV-UHFFFAOYSA-N
MW174.25 g/mol
LogP2.38
Rot. Bonds2

About 5-(2-methylpropyl)-3aH-benzimidazole

5-(2-methylpropyl)-3aH-benzimidazole (PubChem CID 134171584) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 5-(2-methylpropyl)-3aH-benzimidazole.

Molecular Properties

Compound Name5-(2-methylpropyl)-3aH-benzimidazole
PubChem CID134171584
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name5-(2-methylpropyl)-3aH-benzimidazole
SMILESCC(C)CC1=CC2N=CN=C2C=C1
InChIInChI=1S/C11H14N2/c1-8(2)5-9-3-4-10-11(6-9)13-7-12-10/h3-4,6-8,11H,5H2,1-2H3
InChIKeyWDEUCWYECAYLSV-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-3aH-benzimidazole?
The IUPAC name of 5-(2-methylpropyl)-3aH-benzimidazole (CID 134171584) is 5-(2-methylpropyl)-3aH-benzimidazole.
What is the SMILES notation for 5-(2-methylpropyl)-3aH-benzimidazole?
The canonical SMILES for 5-(2-methylpropyl)-3aH-benzimidazole is CC(C)CC1=CC2N=CN=C2C=C1.
What is the InChIKey of 5-(2-methylpropyl)-3aH-benzimidazole?
The InChIKey is WDEUCWYECAYLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-8(2)5-9-3-4-10-11(6-9)13-7-12-10/h3-4,6-8,11H,5H2,1-2H3.
What are the key properties of 5-(2-methylpropyl)-3aH-benzimidazole?
5-(2-methylpropyl)-3aH-benzimidazole has a molecular weight of 174.25 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-3aH-benzimidazole is sourced from PubChem (CID 134171584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).