1-[1-(3-aminopropyl)-5-fluorobenzimidazol-2-yl]-N,N-dimethylpropan-1-amine

C15H23FN4 — CID 82310809

IUPAC1-[1-(3-aminopropyl)-5-fluorobenzimidazol-2-yl]-N,N-dimethylpropan-1-amine
SMILESCCC(c1nc2cc(F)ccc2n1CCCN)N(C)C
InChIInChI=1S/C15H23FN4/c1-4-13(19(2)3)15-18-12-10-11(16)6-7-14(12)20(15)9-5-8-17/h6-7,10,13H,4-5,8-9,17H2,1-3H3
InChIKeyJPNTXQSFXUQNBB-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.54
Rot. Bonds6

About 1-[1-(3-aminopropyl)-5-fluorobenzimidazol-2-yl]-N,N-dimethylpropan-1-amine

1-[1-(3-aminopropyl)-5-fluorobenzimidazol-2-yl]-N,N-dimethylpropan-1-amine (PubChem CID 82310809) has the molecular formula C15H23FN4 and a molecular weight of 278.37 g/mol. Its IUPAC name is 1-[1-(3-aminopropyl)-5-fluorobenzimidazol-2-yl]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-[1-(3-aminopropyl)-5-fluorobenzimidazol-2-yl]-N,N-dimethylpropan-1-amine
PubChem CID82310809
Molecular FormulaC15H23FN4
Molecular Weight278.37 g/mol
Exact Mass278.19
IUPAC Name1-[1-(3-aminopropyl)-5-fluorobenzimidazol-2-yl]-N,N-dimethylpropan-1-amine
SMILESCCC(c1nc2cc(F)ccc2n1CCCN)N(C)C
InChIInChI=1S/C15H23FN4/c1-4-13(19(2)3)15-18-12-10-11(16)6-7-14(12)20(15)9-5-8-17/h6-7,10,13H,4-5,8-9,17H2,1-3H3
InChIKeyJPNTXQSFXUQNBB-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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-aminopropyl)-5-fluorobenzimidazol-2-yl]-N,N-dimethylpropan-1-amine?
The IUPAC name of 1-[1-(3-aminopropyl)-5-fluorobenzimidazol-2-yl]-N,N-dimethylpropan-1-amine (CID 82310809) is 1-[1-(3-aminopropyl)-5-fluorobenzimidazol-2-yl]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 1-[1-(3-aminopropyl)-5-fluorobenzimidazol-2-yl]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 1-[1-(3-aminopropyl)-5-fluorobenzimidazol-2-yl]-N,N-dimethylpropan-1-amine is CCC(c1nc2cc(F)ccc2n1CCCN)N(C)C.
What is the InChIKey of 1-[1-(3-aminopropyl)-5-fluorobenzimidazol-2-yl]-N,N-dimethylpropan-1-amine?
The InChIKey is JPNTXQSFXUQNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN4/c1-4-13(19(2)3)15-18-12-10-11(16)6-7-14(12)20(15)9-5-8-17/h6-7,10,13H,4-5,8-9,17H2,1-3H3.
What are the key properties of 1-[1-(3-aminopropyl)-5-fluorobenzimidazol-2-yl]-N,N-dimethylpropan-1-amine?
1-[1-(3-aminopropyl)-5-fluorobenzimidazol-2-yl]-N,N-dimethylpropan-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 1-[1-(3-aminopropyl)-5-fluorobenzimidazol-2-yl]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 82310809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).