4-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)pentan-1-amine

C15H20FN3 — CID 104683343

IUPAC4-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)pentan-1-amine
SMILESCC(CCCN)c1nc2c(F)cccc2n1C1CC1
InChIInChI=1S/C15H20FN3/c1-10(4-3-9-17)15-18-14-12(16)5-2-6-13(14)19(15)11-7-8-11/h2,5-6,10-11H,3-4,7-9,17H2,1H3
InChIKeyBQSJJXFYRHTEPF-UHFFFAOYSA-N
MW261.34 g/mol
LogP3.35
Rot. Bonds5

About 4-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)pentan-1-amine

4-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)pentan-1-amine (PubChem CID 104683343) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is 4-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)pentan-1-amine.

Molecular Properties

Compound Name4-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)pentan-1-amine
PubChem CID104683343
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC Name4-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)pentan-1-amine
SMILESCC(CCCN)c1nc2c(F)cccc2n1C1CC1
InChIInChI=1S/C15H20FN3/c1-10(4-3-9-17)15-18-14-12(16)5-2-6-13(14)19(15)11-7-8-11/h2,5-6,10-11H,3-4,7-9,17H2,1H3
InChIKeyBQSJJXFYRHTEPF-UHFFFAOYSA-N
XLogP3.35
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)pentan-1-amine?
The IUPAC name of 4-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)pentan-1-amine (CID 104683343) is 4-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)pentan-1-amine.
What is the SMILES notation for 4-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)pentan-1-amine?
The canonical SMILES for 4-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)pentan-1-amine is CC(CCCN)c1nc2c(F)cccc2n1C1CC1.
What is the InChIKey of 4-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)pentan-1-amine?
The InChIKey is BQSJJXFYRHTEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-10(4-3-9-17)15-18-14-12(16)5-2-6-13(14)19(15)11-7-8-11/h2,5-6,10-11H,3-4,7-9,17H2,1H3.
What are the key properties of 4-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)pentan-1-amine?
4-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)pentan-1-amine has a molecular weight of 261.34 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopropyl-4-fluorobenzimidazol-2-yl)pentan-1-amine is sourced from PubChem (CID 104683343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).