1-(5-fluoro-1-propylbenzimidazol-2-yl)-2-phenylethanamine

C18H20FN3 — CID 82331998

IUPAC1-(5-fluoro-1-propylbenzimidazol-2-yl)-2-phenylethanamine
SMILESCCCn1c(C(N)Cc2ccccc2)nc2cc(F)ccc21
InChIInChI=1S/C18H20FN3/c1-2-10-22-17-9-8-14(19)12-16(17)21-18(22)15(20)11-13-6-4-3-5-7-13/h3-9,12,15H,2,10-11,20H2,1H3
InChIKeySJGOHSVDHRKOGV-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.83
Rot. Bonds5

About 1-(5-fluoro-1-propylbenzimidazol-2-yl)-2-phenylethanamine

1-(5-fluoro-1-propylbenzimidazol-2-yl)-2-phenylethanamine (PubChem CID 82331998) has the molecular formula C18H20FN3 and a molecular weight of 297.38 g/mol. Its IUPAC name is 1-(5-fluoro-1-propylbenzimidazol-2-yl)-2-phenylethanamine.

Molecular Properties

Compound Name1-(5-fluoro-1-propylbenzimidazol-2-yl)-2-phenylethanamine
PubChem CID82331998
Molecular FormulaC18H20FN3
Molecular Weight297.38 g/mol
Exact Mass297.16
IUPAC Name1-(5-fluoro-1-propylbenzimidazol-2-yl)-2-phenylethanamine
SMILESCCCn1c(C(N)Cc2ccccc2)nc2cc(F)ccc21
InChIInChI=1S/C18H20FN3/c1-2-10-22-17-9-8-14(19)12-16(17)21-18(22)15(20)11-13-6-4-3-5-7-13/h3-9,12,15H,2,10-11,20H2,1H3
InChIKeySJGOHSVDHRKOGV-UHFFFAOYSA-N
XLogP3.83
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1-propylbenzimidazol-2-yl)-2-phenylethanamine?
The IUPAC name of 1-(5-fluoro-1-propylbenzimidazol-2-yl)-2-phenylethanamine (CID 82331998) is 1-(5-fluoro-1-propylbenzimidazol-2-yl)-2-phenylethanamine.
What is the SMILES notation for 1-(5-fluoro-1-propylbenzimidazol-2-yl)-2-phenylethanamine?
The canonical SMILES for 1-(5-fluoro-1-propylbenzimidazol-2-yl)-2-phenylethanamine is CCCn1c(C(N)Cc2ccccc2)nc2cc(F)ccc21.
What is the InChIKey of 1-(5-fluoro-1-propylbenzimidazol-2-yl)-2-phenylethanamine?
The InChIKey is SJGOHSVDHRKOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3/c1-2-10-22-17-9-8-14(19)12-16(17)21-18(22)15(20)11-13-6-4-3-5-7-13/h3-9,12,15H,2,10-11,20H2,1H3.
What are the key properties of 1-(5-fluoro-1-propylbenzimidazol-2-yl)-2-phenylethanamine?
1-(5-fluoro-1-propylbenzimidazol-2-yl)-2-phenylethanamine has a molecular weight of 297.38 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-1-propylbenzimidazol-2-yl)-2-phenylethanamine is sourced from PubChem (CID 82331998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).