1-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-2-methylpropan-1-amine

C14H18FN3 — CID 60784858

IUPAC1-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-2-methylpropan-1-amine
SMILESCC(C)C(N)c1nc2cc(F)ccc2n1C1CC1
InChIInChI=1S/C14H18FN3/c1-8(2)13(16)14-17-11-7-9(15)3-6-12(11)18(14)10-4-5-10/h3,6-8,10,13H,4-5,16H2,1-2H3
InChIKeyUWLVYXOTRDPXAI-UHFFFAOYSA-N
MW247.32 g/mol
LogP3.17
Rot. Bonds3

About 1-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-2-methylpropan-1-amine

1-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-2-methylpropan-1-amine (PubChem CID 60784858) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is 1-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-2-methylpropan-1-amine
PubChem CID60784858
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC Name1-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-2-methylpropan-1-amine
SMILESCC(C)C(N)c1nc2cc(F)ccc2n1C1CC1
InChIInChI=1S/C14H18FN3/c1-8(2)13(16)14-17-11-7-9(15)3-6-12(11)18(14)10-4-5-10/h3,6-8,10,13H,4-5,16H2,1-2H3
InChIKeyUWLVYXOTRDPXAI-UHFFFAOYSA-N
XLogP3.17
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-2-methylpropan-1-amine?
The IUPAC name of 1-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-2-methylpropan-1-amine (CID 60784858) is 1-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 1-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-2-methylpropan-1-amine?
The canonical SMILES for 1-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-2-methylpropan-1-amine is CC(C)C(N)c1nc2cc(F)ccc2n1C1CC1.
What is the InChIKey of 1-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-2-methylpropan-1-amine?
The InChIKey is UWLVYXOTRDPXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c1-8(2)13(16)14-17-11-7-9(15)3-6-12(11)18(14)10-4-5-10/h3,6-8,10,13H,4-5,16H2,1-2H3.
What are the key properties of 1-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-2-methylpropan-1-amine?
1-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-2-methylpropan-1-amine has a molecular weight of 247.32 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 60784858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).