N-(5-fluoro-6-morpholin-4-yl-1-propylbenzimidazol-2-yl)acetamide

C16H21FN4O2 — CID 91247452

IUPACN-(5-fluoro-6-morpholin-4-yl-1-propylbenzimidazol-2-yl)acetamide
SMILESCCCn1c(NC(C)=O)nc2cc(F)c(N3CCOCC3)cc21
InChIInChI=1S/C16H21FN4O2/c1-3-4-21-15-10-14(20-5-7-23-8-6-20)12(17)9-13(15)19-16(21)18-11(2)22/h9-10H,3-8H2,1-2H3,(H,18,19,22)
InChIKeyXKOSBELYRBKCRF-UHFFFAOYSA-N
MW320.37 g/mol
LogP2.38
Rot. Bonds4

About N-(5-fluoro-6-morpholin-4-yl-1-propylbenzimidazol-2-yl)acetamide

N-(5-fluoro-6-morpholin-4-yl-1-propylbenzimidazol-2-yl)acetamide (PubChem CID 91247452) has the molecular formula C16H21FN4O2 and a molecular weight of 320.37 g/mol. Its IUPAC name is N-(5-fluoro-6-morpholin-4-yl-1-propylbenzimidazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(5-fluoro-6-morpholin-4-yl-1-propylbenzimidazol-2-yl)acetamide
PubChem CID91247452
Molecular FormulaC16H21FN4O2
Molecular Weight320.37 g/mol
Exact Mass320.16
IUPAC NameN-(5-fluoro-6-morpholin-4-yl-1-propylbenzimidazol-2-yl)acetamide
SMILESCCCn1c(NC(C)=O)nc2cc(F)c(N3CCOCC3)cc21
InChIInChI=1S/C16H21FN4O2/c1-3-4-21-15-10-14(20-5-7-23-8-6-20)12(17)9-13(15)19-16(21)18-11(2)22/h9-10H,3-8H2,1-2H3,(H,18,19,22)
InChIKeyXKOSBELYRBKCRF-UHFFFAOYSA-N
XLogP2.38
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;N-(3-fluoro-4-morpholin-4-ylphenyl)acetamide
CID 145422161
N-(2,4-difluoro-6-morpholin-4-ylphenyl)acetamide
CID 177251713
N-(3-fluoro-4-morpholin-4-ylphenyl)propanamide
CID 144950070
ethyl 2-[1-ethyl-5-fluoro-6-(4-methylpiperazin-1-yl)benzimidazol-2-yl]acetate
CID 19101699
2-[(4-fluoro-3-morpholin-4-ylphenyl)carbamoyl]butanoic acid
CID 146133334
(3S)-1-(2-fluorophenyl)-5-oxo-N-(1-propylbenzimidazol-2-yl)pyrrolidine-3-carboxamide
CID 25356215
1-(3-fluoro-4-morpholin-4-ylphenyl)butan-1-one
CID 723653
4-(6-fluoro-2,3-dihydro-1H-cyclopenta[b]quinoxalin-7-yl)morpholine
CID 56695366
4-(2,5-difluoro-4-morpholin-4-ylanilino)cyclohexane-1-carboxylic acid
CID 122034245
N-(2,6-difluorophenyl)-3-(5-morpholin-4-ylsulfonyl-1-propylbenzimidazol-2-yl)propanamide
CID 55345807
5-bromo-2-fluoro-N-(1-propylbenzimidazol-2-yl)benzamide
CID 31510194
N-[6-fluoro-1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 126688291

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-6-morpholin-4-yl-1-propylbenzimidazol-2-yl)acetamide?
The IUPAC name of N-(5-fluoro-6-morpholin-4-yl-1-propylbenzimidazol-2-yl)acetamide (CID 91247452) is N-(5-fluoro-6-morpholin-4-yl-1-propylbenzimidazol-2-yl)acetamide.
What is the SMILES notation for N-(5-fluoro-6-morpholin-4-yl-1-propylbenzimidazol-2-yl)acetamide?
The canonical SMILES for N-(5-fluoro-6-morpholin-4-yl-1-propylbenzimidazol-2-yl)acetamide is CCCn1c(NC(C)=O)nc2cc(F)c(N3CCOCC3)cc21.
What is the InChIKey of N-(5-fluoro-6-morpholin-4-yl-1-propylbenzimidazol-2-yl)acetamide?
The InChIKey is XKOSBELYRBKCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O2/c1-3-4-21-15-10-14(20-5-7-23-8-6-20)12(17)9-13(15)19-16(21)18-11(2)22/h9-10H,3-8H2,1-2H3,(H,18,19,22).
What are the key properties of N-(5-fluoro-6-morpholin-4-yl-1-propylbenzimidazol-2-yl)acetamide?
N-(5-fluoro-6-morpholin-4-yl-1-propylbenzimidazol-2-yl)acetamide has a molecular weight of 320.37 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-6-morpholin-4-yl-1-propylbenzimidazol-2-yl)acetamide is sourced from PubChem (CID 91247452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).