1-(3,5-difluorophenyl)-2-(2-imino-3-propylbenzimidazol-1-yl)ethanone

C18H17F2N3O — CID 118052875

IUPAC1-(3,5-difluorophenyl)-2-(2-imino-3-propylbenzimidazol-1-yl)ethanone
SMILES[H]/N=c1\n(CCC)c2ccccc2n1CC(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C18H17F2N3O/c1-2-7-22-15-5-3-4-6-16(15)23(18(22)21)11-17(24)12-8-13(19)10-14(20)9-12/h3-6,8-10,21H,2,7,11H2,1H3/b21-18+
InChIKeyMXTNGBBWPXWDAP-DYTRJAOYSA-N
MW329.35 g/mol
LogP3.49
Rot. Bonds5

About 1-(3,5-difluorophenyl)-2-(2-imino-3-propylbenzimidazol-1-yl)ethanone

1-(3,5-difluorophenyl)-2-(2-imino-3-propylbenzimidazol-1-yl)ethanone (PubChem CID 118052875) has the molecular formula C18H17F2N3O and a molecular weight of 329.35 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-2-(2-imino-3-propylbenzimidazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-2-(2-imino-3-propylbenzimidazol-1-yl)ethanone
PubChem CID118052875
Molecular FormulaC18H17F2N3O
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Name1-(3,5-difluorophenyl)-2-(2-imino-3-propylbenzimidazol-1-yl)ethanone
SMILES[H]/N=c1\n(CCC)c2ccccc2n1CC(=O)c1cc(F)cc(F)c1
InChIInChI=1S/C18H17F2N3O/c1-2-7-22-15-5-3-4-6-16(15)23(18(22)21)11-17(24)12-8-13(19)10-14(20)9-12/h3-6,8-10,21H,2,7,11H2,1H3/b21-18+
InChIKeyMXTNGBBWPXWDAP-DYTRJAOYSA-N
XLogP3.49
TPSA50.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-2-(2-imino-3-propylbenzimidazol-1-yl)ethanone?
The IUPAC name of 1-(3,5-difluorophenyl)-2-(2-imino-3-propylbenzimidazol-1-yl)ethanone (CID 118052875) is 1-(3,5-difluorophenyl)-2-(2-imino-3-propylbenzimidazol-1-yl)ethanone.
What is the SMILES notation for 1-(3,5-difluorophenyl)-2-(2-imino-3-propylbenzimidazol-1-yl)ethanone?
The canonical SMILES for 1-(3,5-difluorophenyl)-2-(2-imino-3-propylbenzimidazol-1-yl)ethanone is [H]/N=c1\n(CCC)c2ccccc2n1CC(=O)c1cc(F)cc(F)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)-2-(2-imino-3-propylbenzimidazol-1-yl)ethanone?
The InChIKey is MXTNGBBWPXWDAP-DYTRJAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O/c1-2-7-22-15-5-3-4-6-16(15)23(18(22)21)11-17(24)12-8-13(19)10-14(20)9-12/h3-6,8-10,21H,2,7,11H2,1H3/b21-18+.
What are the key properties of 1-(3,5-difluorophenyl)-2-(2-imino-3-propylbenzimidazol-1-yl)ethanone?
1-(3,5-difluorophenyl)-2-(2-imino-3-propylbenzimidazol-1-yl)ethanone has a molecular weight of 329.35 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-2-(2-imino-3-propylbenzimidazol-1-yl)ethanone is sourced from PubChem (CID 118052875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).