1-(1-cyclopropyl-7-fluorobenzimidazol-2-yl)ethanamine

C12H14FN3 — CID 67447528

IUPAC1-(1-cyclopropyl-7-fluorobenzimidazol-2-yl)ethanamine
SMILESCC(N)c1nc2cccc(F)c2n1C1CC1
InChIInChI=1S/C12H14FN3/c1-7(14)12-15-10-4-2-3-9(13)11(10)16(12)8-5-6-8/h2-4,7-8H,5-6,14H2,1H3
InChIKeyAPHKBNRYCWVQFQ-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.53
Rot. Bonds2

About 1-(1-cyclopropyl-7-fluorobenzimidazol-2-yl)ethanamine

1-(1-cyclopropyl-7-fluorobenzimidazol-2-yl)ethanamine (PubChem CID 67447528) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is 1-(1-cyclopropyl-7-fluorobenzimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-(1-cyclopropyl-7-fluorobenzimidazol-2-yl)ethanamine
PubChem CID67447528
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC Name1-(1-cyclopropyl-7-fluorobenzimidazol-2-yl)ethanamine
SMILESCC(N)c1nc2cccc(F)c2n1C1CC1
InChIInChI=1S/C12H14FN3/c1-7(14)12-15-10-4-2-3-9(13)11(10)16(12)8-5-6-8/h2-4,7-8H,5-6,14H2,1H3
InChIKeyAPHKBNRYCWVQFQ-UHFFFAOYSA-N
XLogP2.53
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropyl-7-fluorobenzimidazol-2-yl)ethanamine?
The IUPAC name of 1-(1-cyclopropyl-7-fluorobenzimidazol-2-yl)ethanamine (CID 67447528) is 1-(1-cyclopropyl-7-fluorobenzimidazol-2-yl)ethanamine.
What is the SMILES notation for 1-(1-cyclopropyl-7-fluorobenzimidazol-2-yl)ethanamine?
The canonical SMILES for 1-(1-cyclopropyl-7-fluorobenzimidazol-2-yl)ethanamine is CC(N)c1nc2cccc(F)c2n1C1CC1.
What is the InChIKey of 1-(1-cyclopropyl-7-fluorobenzimidazol-2-yl)ethanamine?
The InChIKey is APHKBNRYCWVQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3/c1-7(14)12-15-10-4-2-3-9(13)11(10)16(12)8-5-6-8/h2-4,7-8H,5-6,14H2,1H3.
What are the key properties of 1-(1-cyclopropyl-7-fluorobenzimidazol-2-yl)ethanamine?
1-(1-cyclopropyl-7-fluorobenzimidazol-2-yl)ethanamine has a molecular weight of 219.26 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropyl-7-fluorobenzimidazol-2-yl)ethanamine is sourced from PubChem (CID 67447528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).