2-pentan-3-yl-1-propylbenzimidazol-4-amine

C15H23N3 — CID 82067555

IUPAC2-pentan-3-yl-1-propylbenzimidazol-4-amine
SMILESCCCn1c(C(CC)CC)nc2c(N)cccc21
InChIInChI=1S/C15H23N3/c1-4-10-18-13-9-7-8-12(16)14(13)17-15(18)11(5-2)6-3/h7-9,11H,4-6,10,16H2,1-3H3
InChIKeyPTFWKLPQBSIYFE-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.93
Rot. Bonds5

About 2-pentan-3-yl-1-propylbenzimidazol-4-amine

2-pentan-3-yl-1-propylbenzimidazol-4-amine (PubChem CID 82067555) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-pentan-3-yl-1-propylbenzimidazol-4-amine.

Molecular Properties

Compound Name2-pentan-3-yl-1-propylbenzimidazol-4-amine
PubChem CID82067555
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name2-pentan-3-yl-1-propylbenzimidazol-4-amine
SMILESCCCn1c(C(CC)CC)nc2c(N)cccc21
InChIInChI=1S/C15H23N3/c1-4-10-18-13-9-7-8-12(16)14(13)17-15(18)11(5-2)6-3/h7-9,11H,4-6,10,16H2,1-3H3
InChIKeyPTFWKLPQBSIYFE-UHFFFAOYSA-N
XLogP3.93
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)propan-1-ol
CID 82067574
2-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)acetic acid
CID 82067548
2-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)-N-methylacetamide
CID 82067572
2-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)-N-propylacetamide
CID 82067573
1-[2-(dimethylamino)ethyl]-2-propan-2-ylbenzimidazol-4-amine
CID 82067478
methyl 2-(4-amino-2-pentan-3-ylbenzimidazol-1-yl)propanoate
CID 82067547
1-butyl-2-(2-methylpropyl)benzimidazol-4-amine
CID 82067688
propyl 2-(4-amino-2-propan-2-ylbenzimidazol-1-yl)acetate
CID 82067422
(1-methyl-2-pentan-3-ylbenzimidazol-4-yl)methanamine
CID 113445267
2-(2-methylpropyl)-1-pentylbenzimidazol-4-amine
CID 82067689
ethyl 2-(4-fluoro-1-propylbenzimidazol-2-yl)butanoate
CID 79480808
2-propan-2-yl-1-[(4-propan-2-ylphenyl)methyl]benzimidazol-4-amine
CID 93215632

Frequently Asked Questions

What is the IUPAC name of 2-pentan-3-yl-1-propylbenzimidazol-4-amine?
The IUPAC name of 2-pentan-3-yl-1-propylbenzimidazol-4-amine (CID 82067555) is 2-pentan-3-yl-1-propylbenzimidazol-4-amine.
What is the SMILES notation for 2-pentan-3-yl-1-propylbenzimidazol-4-amine?
The canonical SMILES for 2-pentan-3-yl-1-propylbenzimidazol-4-amine is CCCn1c(C(CC)CC)nc2c(N)cccc21.
What is the InChIKey of 2-pentan-3-yl-1-propylbenzimidazol-4-amine?
The InChIKey is PTFWKLPQBSIYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-4-10-18-13-9-7-8-12(16)14(13)17-15(18)11(5-2)6-3/h7-9,11H,4-6,10,16H2,1-3H3.
What are the key properties of 2-pentan-3-yl-1-propylbenzimidazol-4-amine?
2-pentan-3-yl-1-propylbenzimidazol-4-amine has a molecular weight of 245.37 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentan-3-yl-1-propylbenzimidazol-4-amine is sourced from PubChem (CID 82067555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).