3-(1H-benzimidazol-2-yl)-N-(2,4-difluorophenyl)propanamide

C16H13F2N3O — CID 27449333

IUPAC3-(1H-benzimidazol-2-yl)-N-(2,4-difluorophenyl)propanamide
SMILESO=C(CCc1nc2ccccc2[nH]1)Nc1ccc(F)cc1F
InChIInChI=1S/C16H13F2N3O/c17-10-5-6-12(11(18)9-10)21-16(22)8-7-15-19-13-3-1-2-4-14(13)20-15/h1-6,9H,7-8H2,(H,19,20)(H,21,22)
InChIKeyLKPAXZQUABKHOK-UHFFFAOYSA-N
MW301.30 g/mol
LogP3.41
Rot. Bonds4

About 3-(1H-benzimidazol-2-yl)-N-(2,4-difluorophenyl)propanamide

3-(1H-benzimidazol-2-yl)-N-(2,4-difluorophenyl)propanamide (PubChem CID 27449333) has the molecular formula C16H13F2N3O and a molecular weight of 301.30 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-N-(2,4-difluorophenyl)propanamide.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-N-(2,4-difluorophenyl)propanamide
PubChem CID27449333
Molecular FormulaC16H13F2N3O
Molecular Weight301.30 g/mol
Exact Mass301.10
IUPAC Name3-(1H-benzimidazol-2-yl)-N-(2,4-difluorophenyl)propanamide
SMILESO=C(CCc1nc2ccccc2[nH]1)Nc1ccc(F)cc1F
InChIInChI=1S/C16H13F2N3O/c17-10-5-6-12(11(18)9-10)21-16(22)8-7-15-19-13-3-1-2-4-14(13)20-15/h1-6,9H,7-8H2,(H,19,20)(H,21,22)
InChIKeyLKPAXZQUABKHOK-UHFFFAOYSA-N
XLogP3.41
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-acetamido-4,5-difluorophenyl)-3-(1H-benzimidazol-2-yl)propanamide
CID 167959387
4-(1H-benzimidazol-2-ylsulfanyl)-N-(2,4-difluorophenyl)butanamide
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N-(4-bromo-2-fluorophenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135767542
3-(1H-benzimidazol-2-yl)-N-(4-bromophenyl)propanamide
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3-(1H-benzimidazol-2-yl)-N-[(5-fluoro-1-benzofuran-2-yl)methyl]propanamide
CID 130245379
3-(1H-benzimidazol-2-yl)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]propanamide
CID 35955632
3-(1H-benzimidazol-2-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 25325404
3-(1H-benzimidazol-2-yl)-N-(3,3-difluoro-2-hydroxypropyl)propanamide
CID 103770477
3-(1H-benzimidazol-2-yl)-N-[2-methyl-3-(methylsulfanylmethyl)phenyl]propanamide
CID 56791675
3-(1H-benzimidazol-2-yl)-N-[(3-fluoro-4-methylphenyl)methyl]propanamide
CID 17473012
4-[3-(1H-benzimidazol-2-yl)propanoylamino]-3-methyl-N-(2-methylpropyl)benzamide
CID 49340123
N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-2-(4-fluorophenyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-N-(2,4-difluorophenyl)propanamide?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-N-(2,4-difluorophenyl)propanamide (CID 27449333) is 3-(1H-benzimidazol-2-yl)-N-(2,4-difluorophenyl)propanamide.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-N-(2,4-difluorophenyl)propanamide?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-N-(2,4-difluorophenyl)propanamide is O=C(CCc1nc2ccccc2[nH]1)Nc1ccc(F)cc1F.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-N-(2,4-difluorophenyl)propanamide?
The InChIKey is LKPAXZQUABKHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3O/c17-10-5-6-12(11(18)9-10)21-16(22)8-7-15-19-13-3-1-2-4-14(13)20-15/h1-6,9H,7-8H2,(H,19,20)(H,21,22).
What are the key properties of 3-(1H-benzimidazol-2-yl)-N-(2,4-difluorophenyl)propanamide?
3-(1H-benzimidazol-2-yl)-N-(2,4-difluorophenyl)propanamide has a molecular weight of 301.30 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-N-(2,4-difluorophenyl)propanamide is sourced from PubChem (CID 27449333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).