[4-[1-ethyl-2-(fluoroamino)-2,3-dihydrobenzimidazol-4-yl]phenyl]-morpholin-4-ylmethanone

C20H23FN4O2 — CID 155052769

IUPAC[4-[1-ethyl-2-(fluoroamino)-2,3-dihydrobenzimidazol-4-yl]phenyl]-morpholin-4-ylmethanone
SMILESCCN1c2cccc(-c3ccc(C(=O)N4CCOCC4)cc3)c2NC1NF
InChIInChI=1S/C20H23FN4O2/c1-2-25-17-5-3-4-16(18(17)22-20(25)23-21)14-6-8-15(9-7-14)19(26)24-10-12-27-13-11-24/h3-9,20,22-23H,2,10-13H2,1H3
InChIKeyQFEISEBGKVBLHK-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.84
Rot. Bonds4

About [4-[1-ethyl-2-(fluoroamino)-2,3-dihydrobenzimidazol-4-yl]phenyl]-morpholin-4-ylmethanone

[4-[1-ethyl-2-(fluoroamino)-2,3-dihydrobenzimidazol-4-yl]phenyl]-morpholin-4-ylmethanone (PubChem CID 155052769) has the molecular formula C20H23FN4O2 and a molecular weight of 370.43 g/mol. Its IUPAC name is [4-[1-ethyl-2-(fluoroamino)-2,3-dihydrobenzimidazol-4-yl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[1-ethyl-2-(fluoroamino)-2,3-dihydrobenzimidazol-4-yl]phenyl]-morpholin-4-ylmethanone
PubChem CID155052769
Molecular FormulaC20H23FN4O2
Molecular Weight370.43 g/mol
Exact Mass370.18
IUPAC Name[4-[1-ethyl-2-(fluoroamino)-2,3-dihydrobenzimidazol-4-yl]phenyl]-morpholin-4-ylmethanone
SMILESCCN1c2cccc(-c3ccc(C(=O)N4CCOCC4)cc3)c2NC1NF
InChIInChI=1S/C20H23FN4O2/c1-2-25-17-5-3-4-16(18(17)22-20(25)23-21)14-6-8-15(9-7-14)19(26)24-10-12-27-13-11-24/h3-9,20,22-23H,2,10-13H2,1H3
InChIKeyQFEISEBGKVBLHK-UHFFFAOYSA-N
XLogP2.84
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

ethane;(4-methylphenyl)-morpholin-4-ylmethanone;propane
CID 176553137
morpholin-4-yl-(4-pyrazolo[1,5-a]pyridin-3-ylphenyl)methanone
CID 144901391
[4-(hydroxymethyl)phenyl]-morpholin-4-ylmethanone
CID 60635795
4-[2-(morpholine-4-carbonyl)phenyl]benzamide
CID 70218339
[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-[4-(1-methyl-2,3-dihydrobenzotriazol-4-yl)phenyl]methanone
CID 163882772
[4-[(dimethylamino)methyl]phenyl]-morpholin-4-ylmethanone
CID 60699283
[4-(4-methoxyphenyl)phenyl]-morpholin-4-ylmethanone
CID 3530238
morpholin-4-yl-[4-(2H-tetrazol-5-yl)phenyl]methanone
CID 32686320
[(2R)-4-(4-methylbenzoyl)-2,3-dihydro-1,4-benzoxazin-2-yl]-morpholin-4-ylmethanone
CID 9246660
[4-(4-fluorobenzoyl)-2,3-dihydro-1,4-benzoxazin-2-yl]-morpholin-4-ylmethanone
CID 17464763
(4-fluorophenyl)-(1,4-oxazepan-4-yl)methanone
CID 62060048
[4-(3-hydroxyprop-1-ynyl)phenyl]-morpholin-4-ylmethanone
CID 60817303

Frequently Asked Questions

What is the IUPAC name of [4-[1-ethyl-2-(fluoroamino)-2,3-dihydrobenzimidazol-4-yl]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[1-ethyl-2-(fluoroamino)-2,3-dihydrobenzimidazol-4-yl]phenyl]-morpholin-4-ylmethanone (CID 155052769) is [4-[1-ethyl-2-(fluoroamino)-2,3-dihydrobenzimidazol-4-yl]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[1-ethyl-2-(fluoroamino)-2,3-dihydrobenzimidazol-4-yl]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[1-ethyl-2-(fluoroamino)-2,3-dihydrobenzimidazol-4-yl]phenyl]-morpholin-4-ylmethanone is CCN1c2cccc(-c3ccc(C(=O)N4CCOCC4)cc3)c2NC1NF.
What is the InChIKey of [4-[1-ethyl-2-(fluoroamino)-2,3-dihydrobenzimidazol-4-yl]phenyl]-morpholin-4-ylmethanone?
The InChIKey is QFEISEBGKVBLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O2/c1-2-25-17-5-3-4-16(18(17)22-20(25)23-21)14-6-8-15(9-7-14)19(26)24-10-12-27-13-11-24/h3-9,20,22-23H,2,10-13H2,1H3.
What are the key properties of [4-[1-ethyl-2-(fluoroamino)-2,3-dihydrobenzimidazol-4-yl]phenyl]-morpholin-4-ylmethanone?
[4-[1-ethyl-2-(fluoroamino)-2,3-dihydrobenzimidazol-4-yl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 370.43 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-ethyl-2-(fluoroamino)-2,3-dihydrobenzimidazol-4-yl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 155052769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).