4-[2-[1-(dimethylamino)ethyl]-5-fluorobenzimidazol-1-yl]butan-1-amine

C15H23FN4 — CID 82310864

IUPAC4-[2-[1-(dimethylamino)ethyl]-5-fluorobenzimidazol-1-yl]butan-1-amine
SMILESCC(c1nc2cc(F)ccc2n1CCCCN)N(C)C
InChIInChI=1S/C15H23FN4/c1-11(19(2)3)15-18-13-10-12(16)6-7-14(13)20(15)9-5-4-8-17/h6-7,10-11H,4-5,8-9,17H2,1-3H3
InChIKeyIIRNBMBKCZIOHU-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.54
Rot. Bonds6

About 4-[2-[1-(dimethylamino)ethyl]-5-fluorobenzimidazol-1-yl]butan-1-amine

4-[2-[1-(dimethylamino)ethyl]-5-fluorobenzimidazol-1-yl]butan-1-amine (PubChem CID 82310864) has the molecular formula C15H23FN4 and a molecular weight of 278.37 g/mol. Its IUPAC name is 4-[2-[1-(dimethylamino)ethyl]-5-fluorobenzimidazol-1-yl]butan-1-amine.

Molecular Properties

Compound Name4-[2-[1-(dimethylamino)ethyl]-5-fluorobenzimidazol-1-yl]butan-1-amine
PubChem CID82310864
Molecular FormulaC15H23FN4
Molecular Weight278.37 g/mol
Exact Mass278.19
IUPAC Name4-[2-[1-(dimethylamino)ethyl]-5-fluorobenzimidazol-1-yl]butan-1-amine
SMILESCC(c1nc2cc(F)ccc2n1CCCCN)N(C)C
InChIInChI=1S/C15H23FN4/c1-11(19(2)3)15-18-13-10-12(16)6-7-14(13)20(15)9-5-4-8-17/h6-7,10-11H,4-5,8-9,17H2,1-3H3
InChIKeyIIRNBMBKCZIOHU-UHFFFAOYSA-N
XLogP2.54
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[1-(diethylamino)ethyl]-5-fluorobenzimidazol-1-yl]propan-1-amine
CID 82310804
1-[1-(3-aminopropyl)-5-fluorobenzimidazol-2-yl]-N,N-dimethylpropan-1-amine
CID 82310809
1-(1-butyl-5-fluorobenzimidazol-2-yl)ethanamine
CID 82332092
2-[5-fluoro-2-[1-[2-hydroxyethyl(methyl)amino]ethyl]benzimidazol-1-yl]ethanol
CID 82311721
4-[2-(1-chloroethyl)-5-fluorobenzimidazol-1-yl]butanamide
CID 60863436
1-(2-aminoethyl)-5-fluoro-N-methyl-N-(2-methylpropyl)benzimidazol-2-amine
CID 115144201
2-[2-[1-(dimethylamino)-2-methylpropyl]-5-fluorobenzimidazol-1-yl]ethanol
CID 82311768
N-[[1-(3-aminopropyl)-5-fluorobenzimidazol-2-yl]methyl]-N-methylbutan-1-amine
CID 82310769
3-[2-[1-(dimethylamino)ethyl]benzimidazol-1-yl]propan-1-ol
CID 82311877
2-(2-bromo-5-fluorobenzimidazol-1-yl)ethanamine
CID 84805700
5-[2-[1-(dimethylamino)ethyl]benzimidazol-1-yl]pentanoic acid
CID 82311950
1-[2-[1-(dimethylamino)propyl]-5-fluorobenzimidazol-1-yl]butan-2-amine
CID 82311438

Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-(dimethylamino)ethyl]-5-fluorobenzimidazol-1-yl]butan-1-amine?
The IUPAC name of 4-[2-[1-(dimethylamino)ethyl]-5-fluorobenzimidazol-1-yl]butan-1-amine (CID 82310864) is 4-[2-[1-(dimethylamino)ethyl]-5-fluorobenzimidazol-1-yl]butan-1-amine.
What is the SMILES notation for 4-[2-[1-(dimethylamino)ethyl]-5-fluorobenzimidazol-1-yl]butan-1-amine?
The canonical SMILES for 4-[2-[1-(dimethylamino)ethyl]-5-fluorobenzimidazol-1-yl]butan-1-amine is CC(c1nc2cc(F)ccc2n1CCCCN)N(C)C.
What is the InChIKey of 4-[2-[1-(dimethylamino)ethyl]-5-fluorobenzimidazol-1-yl]butan-1-amine?
The InChIKey is IIRNBMBKCZIOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN4/c1-11(19(2)3)15-18-13-10-12(16)6-7-14(13)20(15)9-5-4-8-17/h6-7,10-11H,4-5,8-9,17H2,1-3H3.
What are the key properties of 4-[2-[1-(dimethylamino)ethyl]-5-fluorobenzimidazol-1-yl]butan-1-amine?
4-[2-[1-(dimethylamino)ethyl]-5-fluorobenzimidazol-1-yl]butan-1-amine has a molecular weight of 278.37 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-(dimethylamino)ethyl]-5-fluorobenzimidazol-1-yl]butan-1-amine is sourced from PubChem (CID 82310864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).