[2-(1-aminoethyl)-5-fluoro-3-phenylbenzimidazol-4-yl]-morpholin-4-ylmethanone

C20H21FN4O2 — CID 77456244

IUPAC[2-(1-aminoethyl)-5-fluoro-3-phenylbenzimidazol-4-yl]-morpholin-4-ylmethanone
SMILESCC(N)c1nc2ccc(F)c(C(=O)N3CCOCC3)c2n1-c1ccccc1
InChIInChI=1S/C20H21FN4O2/c1-13(22)19-23-16-8-7-15(21)17(20(26)24-9-11-27-12-10-24)18(16)25(19)14-5-3-2-4-6-14/h2-8,13H,9-12,22H2,1H3
InChIKeyBPQDKVBTQQDLBI-UHFFFAOYSA-N
MW368.41 g/mol
LogP2.66
Rot. Bonds3

About [2-(1-aminoethyl)-5-fluoro-3-phenylbenzimidazol-4-yl]-morpholin-4-ylmethanone

[2-(1-aminoethyl)-5-fluoro-3-phenylbenzimidazol-4-yl]-morpholin-4-ylmethanone (PubChem CID 77456244) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is [2-(1-aminoethyl)-5-fluoro-3-phenylbenzimidazol-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-(1-aminoethyl)-5-fluoro-3-phenylbenzimidazol-4-yl]-morpholin-4-ylmethanone
PubChem CID77456244
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC Name[2-(1-aminoethyl)-5-fluoro-3-phenylbenzimidazol-4-yl]-morpholin-4-ylmethanone
SMILESCC(N)c1nc2ccc(F)c(C(=O)N3CCOCC3)c2n1-c1ccccc1
InChIInChI=1S/C20H21FN4O2/c1-13(22)19-23-16-8-7-15(21)17(20(26)24-9-11-27-12-10-24)18(16)25(19)14-5-3-2-4-6-14/h2-8,13H,9-12,22H2,1H3
InChIKeyBPQDKVBTQQDLBI-UHFFFAOYSA-N
XLogP2.66
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(1-aminoethyl)-5-fluoro-3-phenylbenzimidazol-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-(1-aminoethyl)-5-fluoro-3-phenylbenzimidazol-4-yl]-morpholin-4-ylmethanone (CID 77456244) is [2-(1-aminoethyl)-5-fluoro-3-phenylbenzimidazol-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-(1-aminoethyl)-5-fluoro-3-phenylbenzimidazol-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-(1-aminoethyl)-5-fluoro-3-phenylbenzimidazol-4-yl]-morpholin-4-ylmethanone is CC(N)c1nc2ccc(F)c(C(=O)N3CCOCC3)c2n1-c1ccccc1.
What is the InChIKey of [2-(1-aminoethyl)-5-fluoro-3-phenylbenzimidazol-4-yl]-morpholin-4-ylmethanone?
The InChIKey is BPQDKVBTQQDLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2/c1-13(22)19-23-16-8-7-15(21)17(20(26)24-9-11-27-12-10-24)18(16)25(19)14-5-3-2-4-6-14/h2-8,13H,9-12,22H2,1H3.
What are the key properties of [2-(1-aminoethyl)-5-fluoro-3-phenylbenzimidazol-4-yl]-morpholin-4-ylmethanone?
[2-(1-aminoethyl)-5-fluoro-3-phenylbenzimidazol-4-yl]-morpholin-4-ylmethanone has a molecular weight of 368.41 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-aminoethyl)-5-fluoro-3-phenylbenzimidazol-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 77456244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).