3-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)propan-1-ol

C15H23N3O — CID 82067574

IUPAC3-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)propan-1-ol
SMILESCCC(CC)c1nc2c(N)cccc2n1CCCO
InChIInChI=1S/C15H23N3O/c1-3-11(4-2)15-17-14-12(16)7-5-8-13(14)18(15)9-6-10-19/h5,7-8,11,19H,3-4,6,9-10,16H2,1-2H3
InChIKeyIIWCZNPABLKNPP-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.90
Rot. Bonds6

About 3-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)propan-1-ol

3-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)propan-1-ol (PubChem CID 82067574) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)propan-1-ol.

Molecular Properties

Compound Name3-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)propan-1-ol
PubChem CID82067574
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name3-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)propan-1-ol
SMILESCCC(CC)c1nc2c(N)cccc2n1CCCO
InChIInChI=1S/C15H23N3O/c1-3-11(4-2)15-17-14-12(16)7-5-8-13(14)18(15)9-6-10-19/h5,7-8,11,19H,3-4,6,9-10,16H2,1-2H3
InChIKeyIIWCZNPABLKNPP-UHFFFAOYSA-N
XLogP2.90
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.90
H-Bond Donors ≤ 52
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 3-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)propan-1-ol?
The IUPAC name of 3-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)propan-1-ol (CID 82067574) is 3-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)propan-1-ol.
What is the SMILES notation for 3-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)propan-1-ol?
The canonical SMILES for 3-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)propan-1-ol is CCC(CC)c1nc2c(N)cccc2n1CCCO.
What is the InChIKey of 3-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)propan-1-ol?
The InChIKey is IIWCZNPABLKNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-3-11(4-2)15-17-14-12(16)7-5-8-13(14)18(15)9-6-10-19/h5,7-8,11,19H,3-4,6,9-10,16H2,1-2H3.
What are the key properties of 3-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)propan-1-ol?
3-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)propan-1-ol has a molecular weight of 261.37 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)propan-1-ol is sourced from PubChem (CID 82067574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).