2-(2-methylpropyl)-1-(2-pyrrolidin-1-ylethyl)benzimidazol-4-amine

C17H26N4 — CID 82067705

IUPAC2-(2-methylpropyl)-1-(2-pyrrolidin-1-ylethyl)benzimidazol-4-amine
SMILESCC(C)Cc1nc2c(N)cccc2n1CCN1CCCC1
InChIInChI=1S/C17H26N4/c1-13(2)12-16-19-17-14(18)6-5-7-15(17)21(16)11-10-20-8-3-4-9-20/h5-7,13H,3-4,8-12,18H2,1-2H3
InChIKeyFIFIFXJUDZKKPF-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.91
Rot. Bonds5

About 2-(2-methylpropyl)-1-(2-pyrrolidin-1-ylethyl)benzimidazol-4-amine

2-(2-methylpropyl)-1-(2-pyrrolidin-1-ylethyl)benzimidazol-4-amine (PubChem CID 82067705) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-(2-methylpropyl)-1-(2-pyrrolidin-1-ylethyl)benzimidazol-4-amine.

Molecular Properties

Compound Name2-(2-methylpropyl)-1-(2-pyrrolidin-1-ylethyl)benzimidazol-4-amine
PubChem CID82067705
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name2-(2-methylpropyl)-1-(2-pyrrolidin-1-ylethyl)benzimidazol-4-amine
SMILESCC(C)Cc1nc2c(N)cccc2n1CCN1CCCC1
InChIInChI=1S/C17H26N4/c1-13(2)12-16-19-17-14(18)6-5-7-15(17)21(16)11-10-20-8-3-4-9-20/h5-7,13H,3-4,8-12,18H2,1-2H3
InChIKeyFIFIFXJUDZKKPF-UHFFFAOYSA-N
XLogP2.91
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-1-(2-pyrrolidin-1-ylethyl)benzimidazol-4-amine?
The IUPAC name of 2-(2-methylpropyl)-1-(2-pyrrolidin-1-ylethyl)benzimidazol-4-amine (CID 82067705) is 2-(2-methylpropyl)-1-(2-pyrrolidin-1-ylethyl)benzimidazol-4-amine.
What is the SMILES notation for 2-(2-methylpropyl)-1-(2-pyrrolidin-1-ylethyl)benzimidazol-4-amine?
The canonical SMILES for 2-(2-methylpropyl)-1-(2-pyrrolidin-1-ylethyl)benzimidazol-4-amine is CC(C)Cc1nc2c(N)cccc2n1CCN1CCCC1.
What is the InChIKey of 2-(2-methylpropyl)-1-(2-pyrrolidin-1-ylethyl)benzimidazol-4-amine?
The InChIKey is FIFIFXJUDZKKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-13(2)12-16-19-17-14(18)6-5-7-15(17)21(16)11-10-20-8-3-4-9-20/h5-7,13H,3-4,8-12,18H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)-1-(2-pyrrolidin-1-ylethyl)benzimidazol-4-amine?
2-(2-methylpropyl)-1-(2-pyrrolidin-1-ylethyl)benzimidazol-4-amine has a molecular weight of 286.42 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-1-(2-pyrrolidin-1-ylethyl)benzimidazol-4-amine is sourced from PubChem (CID 82067705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).