1-[1,5-di(propan-2-yl)benzimidazol-2-yl]ethanamine

C15H23N3 — CID 82333985

IUPAC1-[1,5-di(propan-2-yl)benzimidazol-2-yl]ethanamine
SMILESCC(C)c1ccc2c(c1)nc(C(C)N)n2C(C)C
InChIInChI=1S/C15H23N3/c1-9(2)12-6-7-14-13(8-12)17-15(11(5)16)18(14)10(3)4/h6-11H,16H2,1-5H3
InChIKeyKVIZKIGRHMNOTD-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.76
Rot. Bonds3

About 1-[1,5-di(propan-2-yl)benzimidazol-2-yl]ethanamine

1-[1,5-di(propan-2-yl)benzimidazol-2-yl]ethanamine (PubChem CID 82333985) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-[1,5-di(propan-2-yl)benzimidazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[1,5-di(propan-2-yl)benzimidazol-2-yl]ethanamine
PubChem CID82333985
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name1-[1,5-di(propan-2-yl)benzimidazol-2-yl]ethanamine
SMILESCC(C)c1ccc2c(c1)nc(C(C)N)n2C(C)C
InChIInChI=1S/C15H23N3/c1-9(2)12-6-7-14-13(8-12)17-15(11(5)16)18(14)10(3)4/h6-11H,16H2,1-5H3
InChIKeyKVIZKIGRHMNOTD-UHFFFAOYSA-N
XLogP3.76
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1,5-di(propan-2-yl)benzimidazol-2-yl]ethanamine?
The IUPAC name of 1-[1,5-di(propan-2-yl)benzimidazol-2-yl]ethanamine (CID 82333985) is 1-[1,5-di(propan-2-yl)benzimidazol-2-yl]ethanamine.
What is the SMILES notation for 1-[1,5-di(propan-2-yl)benzimidazol-2-yl]ethanamine?
The canonical SMILES for 1-[1,5-di(propan-2-yl)benzimidazol-2-yl]ethanamine is CC(C)c1ccc2c(c1)nc(C(C)N)n2C(C)C.
What is the InChIKey of 1-[1,5-di(propan-2-yl)benzimidazol-2-yl]ethanamine?
The InChIKey is KVIZKIGRHMNOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-9(2)12-6-7-14-13(8-12)17-15(11(5)16)18(14)10(3)4/h6-11H,16H2,1-5H3.
What are the key properties of 1-[1,5-di(propan-2-yl)benzimidazol-2-yl]ethanamine?
1-[1,5-di(propan-2-yl)benzimidazol-2-yl]ethanamine has a molecular weight of 245.37 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,5-di(propan-2-yl)benzimidazol-2-yl]ethanamine is sourced from PubChem (CID 82333985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).