2-tert-butyl-1-(cyclopentylmethyl)benzimidazol-5-amine

C17H25N3 — CID 62506214

IUPAC2-tert-butyl-1-(cyclopentylmethyl)benzimidazol-5-amine
SMILESCC(C)(C)c1nc2cc(N)ccc2n1CC1CCCC1
InChIInChI=1S/C17H25N3/c1-17(2,3)16-19-14-10-13(18)8-9-15(14)20(16)11-12-6-4-5-7-12/h8-10,12H,4-7,11,18H2,1-3H3
InChIKeyDYEHVBULKQOWBQ-UHFFFAOYSA-N
MW271.41 g/mol
LogP4.11
Rot. Bonds2

About 2-tert-butyl-1-(cyclopentylmethyl)benzimidazol-5-amine

2-tert-butyl-1-(cyclopentylmethyl)benzimidazol-5-amine (PubChem CID 62506214) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 2-tert-butyl-1-(cyclopentylmethyl)benzimidazol-5-amine.

Molecular Properties

Compound Name2-tert-butyl-1-(cyclopentylmethyl)benzimidazol-5-amine
PubChem CID62506214
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name2-tert-butyl-1-(cyclopentylmethyl)benzimidazol-5-amine
SMILESCC(C)(C)c1nc2cc(N)ccc2n1CC1CCCC1
InChIInChI=1S/C17H25N3/c1-17(2,3)16-19-14-10-13(18)8-9-15(14)20(16)11-12-6-4-5-7-12/h8-10,12H,4-7,11,18H2,1-3H3
InChIKeyDYEHVBULKQOWBQ-UHFFFAOYSA-N
XLogP4.11
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-tert-butyl-1-(cyclopentylmethyl)benzimidazol-5-amine?
The IUPAC name of 2-tert-butyl-1-(cyclopentylmethyl)benzimidazol-5-amine (CID 62506214) is 2-tert-butyl-1-(cyclopentylmethyl)benzimidazol-5-amine.
What is the SMILES notation for 2-tert-butyl-1-(cyclopentylmethyl)benzimidazol-5-amine?
The canonical SMILES for 2-tert-butyl-1-(cyclopentylmethyl)benzimidazol-5-amine is CC(C)(C)c1nc2cc(N)ccc2n1CC1CCCC1.
What is the InChIKey of 2-tert-butyl-1-(cyclopentylmethyl)benzimidazol-5-amine?
The InChIKey is DYEHVBULKQOWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-17(2,3)16-19-14-10-13(18)8-9-15(14)20(16)11-12-6-4-5-7-12/h8-10,12H,4-7,11,18H2,1-3H3.
What are the key properties of 2-tert-butyl-1-(cyclopentylmethyl)benzimidazol-5-amine?
2-tert-butyl-1-(cyclopentylmethyl)benzimidazol-5-amine has a molecular weight of 271.41 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-(cyclopentylmethyl)benzimidazol-5-amine is sourced from PubChem (CID 62506214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).