2-(2,5-dimethylheptan-2-yl)-2H-benzimidazole

C16H24N2 — CID 3764348

IUPAC2-(2,5-dimethylheptan-2-yl)-2H-benzimidazole
SMILESCCC(C)CCC(C)(C)C1N=c2ccccc2=N1
InChIInChI=1S/C16H24N2/c1-5-12(2)10-11-16(3,4)15-17-13-8-6-7-9-14(13)18-15/h6-9,12,15H,5,10-11H2,1-4H3
InChIKeyAQRCIRBQHAEJKG-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.12
Rot. Bonds5

About 2-(2,5-dimethylheptan-2-yl)-2H-benzimidazole

2-(2,5-dimethylheptan-2-yl)-2H-benzimidazole (PubChem CID 3764348) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-(2,5-dimethylheptan-2-yl)-2H-benzimidazole.

Molecular Properties

Compound Name2-(2,5-dimethylheptan-2-yl)-2H-benzimidazole
PubChem CID3764348
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name2-(2,5-dimethylheptan-2-yl)-2H-benzimidazole
SMILESCCC(C)CCC(C)(C)C1N=c2ccccc2=N1
InChIInChI=1S/C16H24N2/c1-5-12(2)10-11-16(3,4)15-17-13-8-6-7-9-14(13)18-15/h6-9,12,15H,5,10-11H2,1-4H3
InChIKeyAQRCIRBQHAEJKG-UHFFFAOYSA-N
XLogP3.12
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylheptan-2-yl)-2H-benzimidazole?
The IUPAC name of 2-(2,5-dimethylheptan-2-yl)-2H-benzimidazole (CID 3764348) is 2-(2,5-dimethylheptan-2-yl)-2H-benzimidazole.
What is the SMILES notation for 2-(2,5-dimethylheptan-2-yl)-2H-benzimidazole?
The canonical SMILES for 2-(2,5-dimethylheptan-2-yl)-2H-benzimidazole is CCC(C)CCC(C)(C)C1N=c2ccccc2=N1.
What is the InChIKey of 2-(2,5-dimethylheptan-2-yl)-2H-benzimidazole?
The InChIKey is AQRCIRBQHAEJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-5-12(2)10-11-16(3,4)15-17-13-8-6-7-9-14(13)18-15/h6-9,12,15H,5,10-11H2,1-4H3.
What are the key properties of 2-(2,5-dimethylheptan-2-yl)-2H-benzimidazole?
2-(2,5-dimethylheptan-2-yl)-2H-benzimidazole has a molecular weight of 244.38 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylheptan-2-yl)-2H-benzimidazole is sourced from PubChem (CID 3764348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).