2-(azepan-2-yl)-1-propan-2-ylbenzimidazole

C16H23N3 — CID 64559378

IUPAC2-(azepan-2-yl)-1-propan-2-ylbenzimidazole
SMILESCC(C)n1c(C2CCCCCN2)nc2ccccc21
InChIInChI=1S/C16H23N3/c1-12(2)19-15-10-6-5-8-13(15)18-16(19)14-9-4-3-7-11-17-14/h5-6,8,10,12,14,17H,3-4,7,9,11H2,1-2H3
InChIKeyOQKMERUHCYQULU-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.82
Rot. Bonds2

About 2-(azepan-2-yl)-1-propan-2-ylbenzimidazole

2-(azepan-2-yl)-1-propan-2-ylbenzimidazole (PubChem CID 64559378) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-(azepan-2-yl)-1-propan-2-ylbenzimidazole.

Molecular Properties

Compound Name2-(azepan-2-yl)-1-propan-2-ylbenzimidazole
PubChem CID64559378
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name2-(azepan-2-yl)-1-propan-2-ylbenzimidazole
SMILESCC(C)n1c(C2CCCCCN2)nc2ccccc21
InChIInChI=1S/C16H23N3/c1-12(2)19-15-10-6-5-8-13(15)18-16(19)14-9-4-3-7-11-17-14/h5-6,8,10,12,14,17H,3-4,7,9,11H2,1-2H3
InChIKeyOQKMERUHCYQULU-UHFFFAOYSA-N
XLogP3.82
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(azepan-2-yl)-1-propan-2-ylbenzimidazole?
The IUPAC name of 2-(azepan-2-yl)-1-propan-2-ylbenzimidazole (CID 64559378) is 2-(azepan-2-yl)-1-propan-2-ylbenzimidazole.
What is the SMILES notation for 2-(azepan-2-yl)-1-propan-2-ylbenzimidazole?
The canonical SMILES for 2-(azepan-2-yl)-1-propan-2-ylbenzimidazole is CC(C)n1c(C2CCCCCN2)nc2ccccc21.
What is the InChIKey of 2-(azepan-2-yl)-1-propan-2-ylbenzimidazole?
The InChIKey is OQKMERUHCYQULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-12(2)19-15-10-6-5-8-13(15)18-16(19)14-9-4-3-7-11-17-14/h5-6,8,10,12,14,17H,3-4,7,9,11H2,1-2H3.
What are the key properties of 2-(azepan-2-yl)-1-propan-2-ylbenzimidazole?
2-(azepan-2-yl)-1-propan-2-ylbenzimidazole has a molecular weight of 257.38 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-2-yl)-1-propan-2-ylbenzimidazole is sourced from PubChem (CID 64559378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).