1-(3-cyclopentylpropyl)-7-methylbenzimidazol-2-amine

C16H23N3 — CID 106008021

IUPAC1-(3-cyclopentylpropyl)-7-methylbenzimidazol-2-amine
SMILESCc1cccc2nc(N)n(CCCC3CCCC3)c12
InChIInChI=1S/C16H23N3/c1-12-6-4-10-14-15(12)19(16(17)18-14)11-5-9-13-7-2-3-8-13/h4,6,10,13H,2-3,5,7-9,11H2,1H3,(H2,17,18)
InChIKeyHHHVWGGQOHMYDW-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.90
Rot. Bonds4

About 1-(3-cyclopentylpropyl)-7-methylbenzimidazol-2-amine

1-(3-cyclopentylpropyl)-7-methylbenzimidazol-2-amine (PubChem CID 106008021) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-(3-cyclopentylpropyl)-7-methylbenzimidazol-2-amine.

Molecular Properties

Compound Name1-(3-cyclopentylpropyl)-7-methylbenzimidazol-2-amine
PubChem CID106008021
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name1-(3-cyclopentylpropyl)-7-methylbenzimidazol-2-amine
SMILESCc1cccc2nc(N)n(CCCC3CCCC3)c12
InChIInChI=1S/C16H23N3/c1-12-6-4-10-14-15(12)19(16(17)18-14)11-5-9-13-7-2-3-8-13/h4,6,10,13H,2-3,5,7-9,11H2,1H3,(H2,17,18)
InChIKeyHHHVWGGQOHMYDW-UHFFFAOYSA-N
XLogP3.90
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopentylpropyl)-7-methylbenzimidazol-2-amine?
The IUPAC name of 1-(3-cyclopentylpropyl)-7-methylbenzimidazol-2-amine (CID 106008021) is 1-(3-cyclopentylpropyl)-7-methylbenzimidazol-2-amine.
What is the SMILES notation for 1-(3-cyclopentylpropyl)-7-methylbenzimidazol-2-amine?
The canonical SMILES for 1-(3-cyclopentylpropyl)-7-methylbenzimidazol-2-amine is Cc1cccc2nc(N)n(CCCC3CCCC3)c12.
What is the InChIKey of 1-(3-cyclopentylpropyl)-7-methylbenzimidazol-2-amine?
The InChIKey is HHHVWGGQOHMYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-12-6-4-10-14-15(12)19(16(17)18-14)11-5-9-13-7-2-3-8-13/h4,6,10,13H,2-3,5,7-9,11H2,1H3,(H2,17,18).
What are the key properties of 1-(3-cyclopentylpropyl)-7-methylbenzimidazol-2-amine?
1-(3-cyclopentylpropyl)-7-methylbenzimidazol-2-amine has a molecular weight of 257.38 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopentylpropyl)-7-methylbenzimidazol-2-amine is sourced from PubChem (CID 106008021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).