1-(3-cyclopentylpropyl)-6-methoxybenzimidazol-2-amine

C16H23N3O — CID 106008013

IUPAC1-(3-cyclopentylpropyl)-6-methoxybenzimidazol-2-amine
SMILESCOc1ccc2nc(N)n(CCCC3CCCC3)c2c1
InChIInChI=1S/C16H23N3O/c1-20-13-8-9-14-15(11-13)19(16(17)18-14)10-4-7-12-5-2-3-6-12/h8-9,11-12H,2-7,10H2,1H3,(H2,17,18)
InChIKeyMXHXFEVBRJKVKW-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.60
Rot. Bonds5

About 1-(3-cyclopentylpropyl)-6-methoxybenzimidazol-2-amine

1-(3-cyclopentylpropyl)-6-methoxybenzimidazol-2-amine (PubChem CID 106008013) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-(3-cyclopentylpropyl)-6-methoxybenzimidazol-2-amine.

Molecular Properties

Compound Name1-(3-cyclopentylpropyl)-6-methoxybenzimidazol-2-amine
PubChem CID106008013
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-(3-cyclopentylpropyl)-6-methoxybenzimidazol-2-amine
SMILESCOc1ccc2nc(N)n(CCCC3CCCC3)c2c1
InChIInChI=1S/C16H23N3O/c1-20-13-8-9-14-15(11-13)19(16(17)18-14)10-4-7-12-5-2-3-6-12/h8-9,11-12H,2-7,10H2,1H3,(H2,17,18)
InChIKeyMXHXFEVBRJKVKW-UHFFFAOYSA-N
XLogP3.60
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopentylpropyl)-6-methoxybenzimidazol-2-amine?
The IUPAC name of 1-(3-cyclopentylpropyl)-6-methoxybenzimidazol-2-amine (CID 106008013) is 1-(3-cyclopentylpropyl)-6-methoxybenzimidazol-2-amine.
What is the SMILES notation for 1-(3-cyclopentylpropyl)-6-methoxybenzimidazol-2-amine?
The canonical SMILES for 1-(3-cyclopentylpropyl)-6-methoxybenzimidazol-2-amine is COc1ccc2nc(N)n(CCCC3CCCC3)c2c1.
What is the InChIKey of 1-(3-cyclopentylpropyl)-6-methoxybenzimidazol-2-amine?
The InChIKey is MXHXFEVBRJKVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-20-13-8-9-14-15(11-13)19(16(17)18-14)10-4-7-12-5-2-3-6-12/h8-9,11-12H,2-7,10H2,1H3,(H2,17,18).
What are the key properties of 1-(3-cyclopentylpropyl)-6-methoxybenzimidazol-2-amine?
1-(3-cyclopentylpropyl)-6-methoxybenzimidazol-2-amine has a molecular weight of 273.38 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopentylpropyl)-6-methoxybenzimidazol-2-amine is sourced from PubChem (CID 106008013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).