3-(benzimidazol-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide

C18H18FN3O — CID 36842954

IUPAC3-(benzimidazol-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
SMILESO=C(CCn1cnc2ccccc21)NCCc1ccc(F)cc1
InChIInChI=1S/C18H18FN3O/c19-15-7-5-14(6-8-15)9-11-20-18(23)10-12-22-13-21-16-3-1-2-4-17(16)22/h1-8,13H,9-12H2,(H,20,23)
InChIKeySPRRPKMMRSCDKS-UHFFFAOYSA-N
MW311.36 g/mol
LogP2.92
Rot. Bonds6

About 3-(benzimidazol-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide

3-(benzimidazol-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide (PubChem CID 36842954) has the molecular formula C18H18FN3O and a molecular weight of 311.36 g/mol. Its IUPAC name is 3-(benzimidazol-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(benzimidazol-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
PubChem CID36842954
Molecular FormulaC18H18FN3O
Molecular Weight311.36 g/mol
Exact Mass311.14
IUPAC Name3-(benzimidazol-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
SMILESO=C(CCn1cnc2ccccc21)NCCc1ccc(F)cc1
InChIInChI=1S/C18H18FN3O/c19-15-7-5-14(6-8-15)9-11-20-18(23)10-12-22-13-21-16-3-1-2-4-17(16)22/h1-8,13H,9-12H2,(H,20,23)
InChIKeySPRRPKMMRSCDKS-UHFFFAOYSA-N
XLogP2.92
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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3-(benzimidazol-1-yl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]propanamide
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3-(benzimidazol-1-yl)-N-benzylpropanamide
CID 4972644
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2-[3-(benzimidazol-1-yl)propyl]-1-ethyl-3-[2-(4-fluorophenyl)ethyl]guanidine
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N-[2-(benzimidazol-1-yl)ethyl]butanamide
CID 47404733
3-(benzimidazol-1-yl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
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3-(benzimidazol-1-yl)-N-[(4-fluorophenyl)methyl]-N-methylpropanamide
CID 134012463
3-(benzimidazol-1-yl)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)propanamide
CID 37275239
N-[3-(benzimidazol-1-yl)propyl]-4-chlorobutanamide
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3-(benzimidazol-1-yl)-N-[2-(cycloheptylamino)ethyl]propanamide;dihydrochloride
CID 119619800

Frequently Asked Questions

What is the IUPAC name of 3-(benzimidazol-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide?
The IUPAC name of 3-(benzimidazol-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide (CID 36842954) is 3-(benzimidazol-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide.
What is the SMILES notation for 3-(benzimidazol-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide?
The canonical SMILES for 3-(benzimidazol-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide is O=C(CCn1cnc2ccccc21)NCCc1ccc(F)cc1.
What is the InChIKey of 3-(benzimidazol-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide?
The InChIKey is SPRRPKMMRSCDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O/c19-15-7-5-14(6-8-15)9-11-20-18(23)10-12-22-13-21-16-3-1-2-4-17(16)22/h1-8,13H,9-12H2,(H,20,23).
What are the key properties of 3-(benzimidazol-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide?
3-(benzimidazol-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide has a molecular weight of 311.36 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzimidazol-1-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide is sourced from PubChem (CID 36842954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).