4,7-di(propan-2-yl)-2H-benzimidazole

C13H18N2 — CID 89446993

IUPAC4,7-di(propan-2-yl)-2H-benzimidazole
SMILESCC(C)c1ccc(C(C)C)c2c1=NCN=2
InChIInChI=1S/C13H18N2/c1-8(2)10-5-6-11(9(3)4)13-12(10)14-7-15-13/h5-6,8-9H,7H2,1-4H3
InChIKeyXJVLFJQQQOVSMD-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.14
Rot. Bonds2

About 4,7-di(propan-2-yl)-2H-benzimidazole

4,7-di(propan-2-yl)-2H-benzimidazole (PubChem CID 89446993) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 4,7-di(propan-2-yl)-2H-benzimidazole.

Molecular Properties

Compound Name4,7-di(propan-2-yl)-2H-benzimidazole
PubChem CID89446993
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name4,7-di(propan-2-yl)-2H-benzimidazole
SMILESCC(C)c1ccc(C(C)C)c2c1=NCN=2
InChIInChI=1S/C13H18N2/c1-8(2)10-5-6-11(9(3)4)13-12(10)14-7-15-13/h5-6,8-9H,7H2,1-4H3
InChIKeyXJVLFJQQQOVSMD-UHFFFAOYSA-N
XLogP2.14
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,7-di(propan-2-yl)-2H-benzimidazole?
The IUPAC name of 4,7-di(propan-2-yl)-2H-benzimidazole (CID 89446993) is 4,7-di(propan-2-yl)-2H-benzimidazole.
What is the SMILES notation for 4,7-di(propan-2-yl)-2H-benzimidazole?
The canonical SMILES for 4,7-di(propan-2-yl)-2H-benzimidazole is CC(C)c1ccc(C(C)C)c2c1=NCN=2.
What is the InChIKey of 4,7-di(propan-2-yl)-2H-benzimidazole?
The InChIKey is XJVLFJQQQOVSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-8(2)10-5-6-11(9(3)4)13-12(10)14-7-15-13/h5-6,8-9H,7H2,1-4H3.
What are the key properties of 4,7-di(propan-2-yl)-2H-benzimidazole?
4,7-di(propan-2-yl)-2H-benzimidazole has a molecular weight of 202.30 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-di(propan-2-yl)-2H-benzimidazole is sourced from PubChem (CID 89446993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).