3-[(6-fluoro-1H-benzimidazol-2-yl)amino]-1-morpholin-4-ylpropan-1-one

C14H17FN4O2 — CID 103295108

IUPAC3-[(6-fluoro-1H-benzimidazol-2-yl)amino]-1-morpholin-4-ylpropan-1-one
SMILESO=C(CCNc1nc2ccc(F)cc2[nH]1)N1CCOCC1
InChIInChI=1S/C14H17FN4O2/c15-10-1-2-11-12(9-10)18-14(17-11)16-4-3-13(20)19-5-7-21-8-6-19/h1-2,9H,3-8H2,(H2,16,17,18)
InChIKeyBMTDVAJHIOIVBF-UHFFFAOYSA-N
MW292.31 g/mol
LogP1.36
Rot. Bonds4

About 3-[(6-fluoro-1H-benzimidazol-2-yl)amino]-1-morpholin-4-ylpropan-1-one

3-[(6-fluoro-1H-benzimidazol-2-yl)amino]-1-morpholin-4-ylpropan-1-one (PubChem CID 103295108) has the molecular formula C14H17FN4O2 and a molecular weight of 292.31 g/mol. Its IUPAC name is 3-[(6-fluoro-1H-benzimidazol-2-yl)amino]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[(6-fluoro-1H-benzimidazol-2-yl)amino]-1-morpholin-4-ylpropan-1-one
PubChem CID103295108
Molecular FormulaC14H17FN4O2
Molecular Weight292.31 g/mol
Exact Mass292.13
IUPAC Name3-[(6-fluoro-1H-benzimidazol-2-yl)amino]-1-morpholin-4-ylpropan-1-one
SMILESO=C(CCNc1nc2ccc(F)cc2[nH]1)N1CCOCC1
InChIInChI=1S/C14H17FN4O2/c15-10-1-2-11-12(9-10)18-14(17-11)16-4-3-13(20)19-5-7-21-8-6-19/h1-2,9H,3-8H2,(H2,16,17,18)
InChIKeyBMTDVAJHIOIVBF-UHFFFAOYSA-N
XLogP1.36
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(6-fluoro-1H-benzimidazol-2-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 103295107
2-[(6-fluoro-1H-benzimidazol-2-yl)amino]-1-pyrrolidin-1-ylethanone
CID 103295091
N-cyclopropyl-3-[(6-fluoro-1H-benzimidazol-2-yl)amino]propanamide
CID 103295026
3-[(6-fluoro-1H-benzimidazol-2-yl)amino]-N-propylpropanamide
CID 103294871
4-fluoro-N-(3-morpholin-4-yl-3-oxopropyl)benzamide
CID 46577163
6-fluoro-N-(3-methylsulfanylpropyl)-1H-benzimidazol-2-amine
CID 103294952
6-fluoro-N-(2-methylsulfinylethyl)-1H-benzimidazol-2-amine
CID 103295135
3-[[(2S)-3-(4-fluorophenyl)-3-methylbutan-2-yl]amino]-1-morpholin-4-ylpropan-1-one
CID 99822392
3-(6-fluoro-1H-benzimidazol-2-yl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide
CID 74240102
N-decyl-6-fluoro-1H-benzimidazol-2-amine
CID 103295033
N-(6-fluoro-1H-benzimidazol-2-yl)-N',N'-dimethylethane-1,2-diamine
CID 103294650
[5-chloro-6-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133378596

Frequently Asked Questions

What is the IUPAC name of 3-[(6-fluoro-1H-benzimidazol-2-yl)amino]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-[(6-fluoro-1H-benzimidazol-2-yl)amino]-1-morpholin-4-ylpropan-1-one (CID 103295108) is 3-[(6-fluoro-1H-benzimidazol-2-yl)amino]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-[(6-fluoro-1H-benzimidazol-2-yl)amino]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-[(6-fluoro-1H-benzimidazol-2-yl)amino]-1-morpholin-4-ylpropan-1-one is O=C(CCNc1nc2ccc(F)cc2[nH]1)N1CCOCC1.
What is the InChIKey of 3-[(6-fluoro-1H-benzimidazol-2-yl)amino]-1-morpholin-4-ylpropan-1-one?
The InChIKey is BMTDVAJHIOIVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O2/c15-10-1-2-11-12(9-10)18-14(17-11)16-4-3-13(20)19-5-7-21-8-6-19/h1-2,9H,3-8H2,(H2,16,17,18).
What are the key properties of 3-[(6-fluoro-1H-benzimidazol-2-yl)amino]-1-morpholin-4-ylpropan-1-one?
3-[(6-fluoro-1H-benzimidazol-2-yl)amino]-1-morpholin-4-ylpropan-1-one has a molecular weight of 292.31 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-fluoro-1H-benzimidazol-2-yl)amino]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 103295108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).