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

C16H26N2 — CID 142172701

IUPAC1-(2,2-dimethylpropyl)-3-(2-methylpropyl)-2H-benzimidazole
SMILESCC(C)CN1CN(CC(C)(C)C)c2ccccc21
InChIInChI=1S/C16H26N2/c1-13(2)10-17-12-18(11-16(3,4)5)15-9-7-6-8-14(15)17/h6-9,13H,10-12H2,1-5H3
InChIKeyBWCYVNMABOONOA-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.97
Rot. Bonds3

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

1-(2,2-dimethylpropyl)-3-(2-methylpropyl)-2H-benzimidazole (PubChem CID 142172701) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-3-(2-methylpropyl)-2H-benzimidazole.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-3-(2-methylpropyl)-2H-benzimidazole
PubChem CID142172701
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-(2,2-dimethylpropyl)-3-(2-methylpropyl)-2H-benzimidazole
SMILESCC(C)CN1CN(CC(C)(C)C)c2ccccc21
InChIInChI=1S/C16H26N2/c1-13(2)10-17-12-18(11-16(3,4)5)15-9-7-6-8-14(15)17/h6-9,13H,10-12H2,1-5H3
InChIKeyBWCYVNMABOONOA-UHFFFAOYSA-N
XLogP3.97
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-3-(2-methylpropyl)-2H-benzimidazole?
The IUPAC name of 1-(2,2-dimethylpropyl)-3-(2-methylpropyl)-2H-benzimidazole (CID 142172701) is 1-(2,2-dimethylpropyl)-3-(2-methylpropyl)-2H-benzimidazole.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-3-(2-methylpropyl)-2H-benzimidazole?
The canonical SMILES for 1-(2,2-dimethylpropyl)-3-(2-methylpropyl)-2H-benzimidazole is CC(C)CN1CN(CC(C)(C)C)c2ccccc21.
What is the InChIKey of 1-(2,2-dimethylpropyl)-3-(2-methylpropyl)-2H-benzimidazole?
The InChIKey is BWCYVNMABOONOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-13(2)10-17-12-18(11-16(3,4)5)15-9-7-6-8-14(15)17/h6-9,13H,10-12H2,1-5H3.
What are the key properties of 1-(2,2-dimethylpropyl)-3-(2-methylpropyl)-2H-benzimidazole?
1-(2,2-dimethylpropyl)-3-(2-methylpropyl)-2H-benzimidazole has a molecular weight of 246.40 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-3-(2-methylpropyl)-2H-benzimidazole is sourced from PubChem (CID 142172701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).