2-(2,2-dimethylpropyl)-1-(2-phenylethyl)benzimidazole

C20H24N2 — CID 1303914

IUPAC2-(2,2-dimethylpropyl)-1-(2-phenylethyl)benzimidazole
SMILESCC(C)(C)Cc1nc2ccccc2n1CCc1ccccc1
InChIInChI=1S/C20H24N2/c1-20(2,3)15-19-21-17-11-7-8-12-18(17)22(19)14-13-16-9-5-4-6-10-16/h4-12H,13-15H2,1-3H3
InChIKeyQZRYDNKAWBIJHV-UHFFFAOYSA-N
MW292.43 g/mol
LogP4.87
Rot. Bonds4

About 2-(2,2-dimethylpropyl)-1-(2-phenylethyl)benzimidazole

2-(2,2-dimethylpropyl)-1-(2-phenylethyl)benzimidazole (PubChem CID 1303914) has the molecular formula C20H24N2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-1-(2-phenylethyl)benzimidazole.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-1-(2-phenylethyl)benzimidazole
PubChem CID1303914
Molecular FormulaC20H24N2
Molecular Weight292.43 g/mol
Exact Mass292.19
IUPAC Name2-(2,2-dimethylpropyl)-1-(2-phenylethyl)benzimidazole
SMILESCC(C)(C)Cc1nc2ccccc2n1CCc1ccccc1
InChIInChI=1S/C20H24N2/c1-20(2,3)15-19-21-17-11-7-8-12-18(17)22(19)14-13-16-9-5-4-6-10-16/h4-12H,13-15H2,1-3H3
InChIKeyQZRYDNKAWBIJHV-UHFFFAOYSA-N
XLogP4.87
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-1-(2-phenylethyl)benzimidazole?
The IUPAC name of 2-(2,2-dimethylpropyl)-1-(2-phenylethyl)benzimidazole (CID 1303914) is 2-(2,2-dimethylpropyl)-1-(2-phenylethyl)benzimidazole.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-1-(2-phenylethyl)benzimidazole?
The canonical SMILES for 2-(2,2-dimethylpropyl)-1-(2-phenylethyl)benzimidazole is CC(C)(C)Cc1nc2ccccc2n1CCc1ccccc1.
What is the InChIKey of 2-(2,2-dimethylpropyl)-1-(2-phenylethyl)benzimidazole?
The InChIKey is QZRYDNKAWBIJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2/c1-20(2,3)15-19-21-17-11-7-8-12-18(17)22(19)14-13-16-9-5-4-6-10-16/h4-12H,13-15H2,1-3H3.
What are the key properties of 2-(2,2-dimethylpropyl)-1-(2-phenylethyl)benzimidazole?
2-(2,2-dimethylpropyl)-1-(2-phenylethyl)benzimidazole has a molecular weight of 292.43 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-1-(2-phenylethyl)benzimidazole is sourced from PubChem (CID 1303914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).