1,3-bis(2,2-dimethylpropyl)-2H-benzimidazole

C17H28N2 — CID 15889258

IUPAC1,3-bis(2,2-dimethylpropyl)-2H-benzimidazole
SMILESCC(C)(C)CN1CN(CC(C)(C)C)c2ccccc21
InChIInChI=1S/C17H28N2/c1-16(2,3)11-18-13-19(12-17(4,5)6)15-10-8-7-9-14(15)18/h7-10H,11-13H2,1-6H3
InChIKeyLWYNCXZRKWKWFN-UHFFFAOYSA-N
MW260.42 g/mol
LogP4.36
Rot. Bonds2

About 1,3-bis(2,2-dimethylpropyl)-2H-benzimidazole

1,3-bis(2,2-dimethylpropyl)-2H-benzimidazole (PubChem CID 15889258) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is 1,3-bis(2,2-dimethylpropyl)-2H-benzimidazole.

Molecular Properties

Compound Name1,3-bis(2,2-dimethylpropyl)-2H-benzimidazole
PubChem CID15889258
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC Name1,3-bis(2,2-dimethylpropyl)-2H-benzimidazole
SMILESCC(C)(C)CN1CN(CC(C)(C)C)c2ccccc21
InChIInChI=1S/C17H28N2/c1-16(2,3)11-18-13-19(12-17(4,5)6)15-10-8-7-9-14(15)18/h7-10H,11-13H2,1-6H3
InChIKeyLWYNCXZRKWKWFN-UHFFFAOYSA-N
XLogP4.36
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2,2-dimethylpropyl)-2H-benzimidazole?
The IUPAC name of 1,3-bis(2,2-dimethylpropyl)-2H-benzimidazole (CID 15889258) is 1,3-bis(2,2-dimethylpropyl)-2H-benzimidazole.
What is the SMILES notation for 1,3-bis(2,2-dimethylpropyl)-2H-benzimidazole?
The canonical SMILES for 1,3-bis(2,2-dimethylpropyl)-2H-benzimidazole is CC(C)(C)CN1CN(CC(C)(C)C)c2ccccc21.
What is the InChIKey of 1,3-bis(2,2-dimethylpropyl)-2H-benzimidazole?
The InChIKey is LWYNCXZRKWKWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-16(2,3)11-18-13-19(12-17(4,5)6)15-10-8-7-9-14(15)18/h7-10H,11-13H2,1-6H3.
What are the key properties of 1,3-bis(2,2-dimethylpropyl)-2H-benzimidazole?
1,3-bis(2,2-dimethylpropyl)-2H-benzimidazole has a molecular weight of 260.42 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2,2-dimethylpropyl)-2H-benzimidazole is sourced from PubChem (CID 15889258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).