1-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pentan-1-amine

C15H20FN3 — CID 62376750

IUPAC1-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pentan-1-amine
SMILESCCCCC(N)c1nc2ccc(F)cc2n1C1CC1
InChIInChI=1S/C15H20FN3/c1-2-3-4-12(17)15-18-13-8-5-10(16)9-14(13)19(15)11-6-7-11/h5,8-9,11-12H,2-4,6-7,17H2,1H3
InChIKeyNYSWKNUPSVTFLU-UHFFFAOYSA-N
MW261.34 g/mol
LogP3.70
Rot. Bonds5

About 1-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pentan-1-amine

1-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pentan-1-amine (PubChem CID 62376750) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is 1-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pentan-1-amine.

Molecular Properties

Compound Name1-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pentan-1-amine
PubChem CID62376750
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC Name1-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pentan-1-amine
SMILESCCCCC(N)c1nc2ccc(F)cc2n1C1CC1
InChIInChI=1S/C15H20FN3/c1-2-3-4-12(17)15-18-13-8-5-10(16)9-14(13)19(15)11-6-7-11/h5,8-9,11-12H,2-4,6-7,17H2,1H3
InChIKeyNYSWKNUPSVTFLU-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pentan-1-amine?
The IUPAC name of 1-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pentan-1-amine (CID 62376750) is 1-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pentan-1-amine.
What is the SMILES notation for 1-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pentan-1-amine?
The canonical SMILES for 1-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pentan-1-amine is CCCCC(N)c1nc2ccc(F)cc2n1C1CC1.
What is the InChIKey of 1-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pentan-1-amine?
The InChIKey is NYSWKNUPSVTFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-2-3-4-12(17)15-18-13-8-5-10(16)9-14(13)19(15)11-6-7-11/h5,8-9,11-12H,2-4,6-7,17H2,1H3.
What are the key properties of 1-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pentan-1-amine?
1-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pentan-1-amine has a molecular weight of 261.34 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)pentan-1-amine is sourced from PubChem (CID 62376750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).