2-(2-methylpropyl)-1-pentylbenzimidazol-4-amine

C16H25N3 — CID 82067689

IUPAC2-(2-methylpropyl)-1-pentylbenzimidazol-4-amine
SMILESCCCCCn1c(CC(C)C)nc2c(N)cccc21
InChIInChI=1S/C16H25N3/c1-4-5-6-10-19-14-9-7-8-13(17)16(14)18-15(19)11-12(2)3/h7-9,12H,4-6,10-11,17H2,1-3H3
InChIKeyIRKARJQRLLBFJJ-UHFFFAOYSA-N
MW259.40 g/mol
LogP4.01
Rot. Bonds6

About 2-(2-methylpropyl)-1-pentylbenzimidazol-4-amine

2-(2-methylpropyl)-1-pentylbenzimidazol-4-amine (PubChem CID 82067689) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 2-(2-methylpropyl)-1-pentylbenzimidazol-4-amine.

Molecular Properties

Compound Name2-(2-methylpropyl)-1-pentylbenzimidazol-4-amine
PubChem CID82067689
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name2-(2-methylpropyl)-1-pentylbenzimidazol-4-amine
SMILESCCCCCn1c(CC(C)C)nc2c(N)cccc21
InChIInChI=1S/C16H25N3/c1-4-5-6-10-19-14-9-7-8-13(17)16(14)18-15(19)11-12(2)3/h7-9,12H,4-6,10-11,17H2,1-3H3
InChIKeyIRKARJQRLLBFJJ-UHFFFAOYSA-N
XLogP4.01
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-1-pentylbenzimidazol-4-amine?
The IUPAC name of 2-(2-methylpropyl)-1-pentylbenzimidazol-4-amine (CID 82067689) is 2-(2-methylpropyl)-1-pentylbenzimidazol-4-amine.
What is the SMILES notation for 2-(2-methylpropyl)-1-pentylbenzimidazol-4-amine?
The canonical SMILES for 2-(2-methylpropyl)-1-pentylbenzimidazol-4-amine is CCCCCn1c(CC(C)C)nc2c(N)cccc21.
What is the InChIKey of 2-(2-methylpropyl)-1-pentylbenzimidazol-4-amine?
The InChIKey is IRKARJQRLLBFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-4-5-6-10-19-14-9-7-8-13(17)16(14)18-15(19)11-12(2)3/h7-9,12H,4-6,10-11,17H2,1-3H3.
What are the key properties of 2-(2-methylpropyl)-1-pentylbenzimidazol-4-amine?
2-(2-methylpropyl)-1-pentylbenzimidazol-4-amine has a molecular weight of 259.40 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-1-pentylbenzimidazol-4-amine is sourced from PubChem (CID 82067689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).