3-(2-fluorophenyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]butanamide

C18H18FN3O2 — CID 155554507

IUPAC3-(2-fluorophenyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]butanamide
SMILESCC(CC(=O)NCc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1F
InChIInChI=1S/C18H18FN3O2/c1-11(13-4-2-3-5-14(13)19)8-17(23)20-10-12-6-7-15-16(9-12)22-18(24)21-15/h2-7,9,11H,8,10H2,1H3,(H,20,23)(H2,21,22,24)
InChIKeyJYQMTEASQYBLAO-UHFFFAOYSA-N
MW327.36 g/mol
LogP2.81
Rot. Bonds5

About 3-(2-fluorophenyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]butanamide

3-(2-fluorophenyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]butanamide (PubChem CID 155554507) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]butanamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]butanamide
PubChem CID155554507
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC Name3-(2-fluorophenyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]butanamide
SMILESCC(CC(=O)NCc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1F
InChIInChI=1S/C18H18FN3O2/c1-11(13-4-2-3-5-14(13)19)8-17(23)20-10-12-6-7-15-16(9-12)22-18(24)21-15/h2-7,9,11H,8,10H2,1H3,(H,20,23)(H2,21,22,24)
InChIKeyJYQMTEASQYBLAO-UHFFFAOYSA-N
XLogP2.81
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]butanamide?
The IUPAC name of 3-(2-fluorophenyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]butanamide (CID 155554507) is 3-(2-fluorophenyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]butanamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]butanamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]butanamide is CC(CC(=O)NCc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]butanamide?
The InChIKey is JYQMTEASQYBLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2/c1-11(13-4-2-3-5-14(13)19)8-17(23)20-10-12-6-7-15-16(9-12)22-18(24)21-15/h2-7,9,11H,8,10H2,1H3,(H,20,23)(H2,21,22,24).
What are the key properties of 3-(2-fluorophenyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]butanamide?
3-(2-fluorophenyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]butanamide has a molecular weight of 327.36 g/mol, XLogP of 2.81, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]butanamide is sourced from PubChem (CID 155554507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).