3-(4-fluorophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide

C16H14FN3O2 — CID 18160949

IUPAC3-(4-fluorophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
SMILESO=C(CCc1ccc(F)cc1)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C16H14FN3O2/c17-11-4-1-10(2-5-11)3-8-15(21)18-12-6-7-13-14(9-12)20-16(22)19-13/h1-2,4-7,9H,3,8H2,(H,18,21)(H2,19,20,22)
InChIKeyRINLXLWURHWHGK-UHFFFAOYSA-N
MW299.31 g/mol
LogP2.57
Rot. Bonds4

About 3-(4-fluorophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide

3-(4-fluorophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide (PubChem CID 18160949) has the molecular formula C16H14FN3O2 and a molecular weight of 299.31 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
PubChem CID18160949
Molecular FormulaC16H14FN3O2
Molecular Weight299.31 g/mol
Exact Mass299.11
IUPAC Name3-(4-fluorophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
SMILESO=C(CCc1ccc(F)cc1)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C16H14FN3O2/c17-11-4-1-10(2-5-11)3-8-15(21)18-12-6-7-13-14(9-12)20-16(22)19-13/h1-2,4-7,9H,3,8H2,(H,18,21)(H2,19,20,22)
InChIKeyRINLXLWURHWHGK-UHFFFAOYSA-N
XLogP2.57
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(diethylsulfamoyl)phenyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 26017530
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CID 36561610
3-(4-tert-butylphenyl)-N-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)propanamide
CID 17466693
4-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-(4-propylphenyl)butanamide
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3-(2-methylphenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 110724040
2-(2,4-difluorophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 31887504
3-(4-fluorophenyl)-N-pyridin-4-ylpropanamide
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2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 10293256
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CID 110390148
3-(1H-benzimidazol-2-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 25325404
2,2-difluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 103605142
2-[4-(difluoromethoxy)phenyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide?
The IUPAC name of 3-(4-fluorophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide (CID 18160949) is 3-(4-fluorophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide is O=C(CCc1ccc(F)cc1)Nc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide?
The InChIKey is RINLXLWURHWHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2/c17-11-4-1-10(2-5-11)3-8-15(21)18-12-6-7-13-14(9-12)20-16(22)19-13/h1-2,4-7,9H,3,8H2,(H,18,21)(H2,19,20,22).
What are the key properties of 3-(4-fluorophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide?
3-(4-fluorophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide has a molecular weight of 299.31 g/mol, XLogP of 2.57, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide is sourced from PubChem (CID 18160949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).