1-(2-cyclopentyloxyethyl)-2-methylbenzimidazol-5-amine

C15H21N3O — CID 63828297

IUPAC1-(2-cyclopentyloxyethyl)-2-methylbenzimidazol-5-amine
SMILESCc1nc2cc(N)ccc2n1CCOC1CCCC1
InChIInChI=1S/C15H21N3O/c1-11-17-14-10-12(16)6-7-15(14)18(11)8-9-19-13-4-2-3-5-13/h6-7,10,13H,2-5,8-9,16H2,1H3
InChIKeyIGWOQXURFKKWMG-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.89
Rot. Bonds4

About 1-(2-cyclopentyloxyethyl)-2-methylbenzimidazol-5-amine

1-(2-cyclopentyloxyethyl)-2-methylbenzimidazol-5-amine (PubChem CID 63828297) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-(2-cyclopentyloxyethyl)-2-methylbenzimidazol-5-amine.

Molecular Properties

Compound Name1-(2-cyclopentyloxyethyl)-2-methylbenzimidazol-5-amine
PubChem CID63828297
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-(2-cyclopentyloxyethyl)-2-methylbenzimidazol-5-amine
SMILESCc1nc2cc(N)ccc2n1CCOC1CCCC1
InChIInChI=1S/C15H21N3O/c1-11-17-14-10-12(16)6-7-15(14)18(11)8-9-19-13-4-2-3-5-13/h6-7,10,13H,2-5,8-9,16H2,1H3
InChIKeyIGWOQXURFKKWMG-UHFFFAOYSA-N
XLogP2.89
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.89
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 1-(2-cyclopentyloxyethyl)-2-methylbenzimidazol-5-amine?
The IUPAC name of 1-(2-cyclopentyloxyethyl)-2-methylbenzimidazol-5-amine (CID 63828297) is 1-(2-cyclopentyloxyethyl)-2-methylbenzimidazol-5-amine.
What is the SMILES notation for 1-(2-cyclopentyloxyethyl)-2-methylbenzimidazol-5-amine?
The canonical SMILES for 1-(2-cyclopentyloxyethyl)-2-methylbenzimidazol-5-amine is Cc1nc2cc(N)ccc2n1CCOC1CCCC1.
What is the InChIKey of 1-(2-cyclopentyloxyethyl)-2-methylbenzimidazol-5-amine?
The InChIKey is IGWOQXURFKKWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11-17-14-10-12(16)6-7-15(14)18(11)8-9-19-13-4-2-3-5-13/h6-7,10,13H,2-5,8-9,16H2,1H3.
What are the key properties of 1-(2-cyclopentyloxyethyl)-2-methylbenzimidazol-5-amine?
1-(2-cyclopentyloxyethyl)-2-methylbenzimidazol-5-amine has a molecular weight of 259.35 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopentyloxyethyl)-2-methylbenzimidazol-5-amine is sourced from PubChem (CID 63828297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).