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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Related Compounds

2-(2-imino-3-propylbenzimidazol-1-yl)-1-(4-nitrophenyl)ethanone
CID 745106
2-(3-butyl-2-iminobenzimidazol-1-yl)-1-thiophen-2-ylethanone
CID 2851129
methyl 2-[2-(2-imino-3-propylbenzimidazol-1-yl)acetyl]benzoate;hydrobromide
CID 44889409
1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-(3-heptyl-2-iminobenzimidazol-1-yl)ethanone;hydrobromide
CID 44889171
1-ethyl-3-propylbenzimidazol-2-imine;hydrobromide
CID 52997879
2-[3-[2-(diethylamino)ethyl]-2-iminobenzimidazol-1-yl]-1-thiophen-2-ylethanone
CID 1354983
1-(4-ethylphenyl)-2-(2-imino-3-methylbenzimidazol-1-yl)ethanone
CID 86579058
1-(2-imino-3-propylbenzimidazol-1-yl)propan-2-ol
CID 3123773
2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-thiophen-2-ylethanone;hydrobromide
CID 52997824
2-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]-1-(4-methylphenyl)ethanone
CID 1125264
2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-(4-hydroxy-3,5-dimethylphenyl)ethanone;hydrobromide
CID 22930586
N-[2-[3-[2-(4-chlorophenyl)-2-oxoethyl]-2-iminobenzimidazol-1-yl]ethyl]-N-methylacetamide;hydrobromide
CID 157482522

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).