1-pentan-3-yl-2-propan-2-ylbenzimidazol-5-amine

C15H23N3 — CID 55080352

IUPAC1-pentan-3-yl-2-propan-2-ylbenzimidazol-5-amine
SMILESCCC(CC)n1c(C(C)C)nc2cc(N)ccc21
InChIInChI=1S/C15H23N3/c1-5-12(6-2)18-14-8-7-11(16)9-13(14)17-15(18)10(3)4/h7-10,12H,5-6,16H2,1-4H3
InChIKeyKTEAIPKYIZVEGI-UHFFFAOYSA-N
MW245.37 g/mol
LogP4.10
Rot. Bonds4

About 1-pentan-3-yl-2-propan-2-ylbenzimidazol-5-amine

1-pentan-3-yl-2-propan-2-ylbenzimidazol-5-amine (PubChem CID 55080352) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-pentan-3-yl-2-propan-2-ylbenzimidazol-5-amine.

Molecular Properties

Compound Name1-pentan-3-yl-2-propan-2-ylbenzimidazol-5-amine
PubChem CID55080352
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name1-pentan-3-yl-2-propan-2-ylbenzimidazol-5-amine
SMILESCCC(CC)n1c(C(C)C)nc2cc(N)ccc21
InChIInChI=1S/C15H23N3/c1-5-12(6-2)18-14-8-7-11(16)9-13(14)17-15(18)10(3)4/h7-10,12H,5-6,16H2,1-4H3
InChIKeyKTEAIPKYIZVEGI-UHFFFAOYSA-N
XLogP4.10
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-pentan-3-yl-2-propan-2-ylbenzimidazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-pentan-3-yl-2-propan-2-ylbenzimidazol-5-amine?
The IUPAC name of 1-pentan-3-yl-2-propan-2-ylbenzimidazol-5-amine (CID 55080352) is 1-pentan-3-yl-2-propan-2-ylbenzimidazol-5-amine.
What is the SMILES notation for 1-pentan-3-yl-2-propan-2-ylbenzimidazol-5-amine?
The canonical SMILES for 1-pentan-3-yl-2-propan-2-ylbenzimidazol-5-amine is CCC(CC)n1c(C(C)C)nc2cc(N)ccc21.
What is the InChIKey of 1-pentan-3-yl-2-propan-2-ylbenzimidazol-5-amine?
The InChIKey is KTEAIPKYIZVEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-5-12(6-2)18-14-8-7-11(16)9-13(14)17-15(18)10(3)4/h7-10,12H,5-6,16H2,1-4H3.
What are the key properties of 1-pentan-3-yl-2-propan-2-ylbenzimidazol-5-amine?
1-pentan-3-yl-2-propan-2-ylbenzimidazol-5-amine has a molecular weight of 245.37 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentan-3-yl-2-propan-2-ylbenzimidazol-5-amine is sourced from PubChem (CID 55080352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).