3-(2-ethyl-5,6-difluorobenzimidazol-1-yl)propanimidamide

C12H14F2N4 — CID 83967829

IUPAC3-(2-ethyl-5,6-difluorobenzimidazol-1-yl)propanimidamide
SMILES[H]/N=C(\N)CCn1c(CC)nc2cc(F)c(F)cc21
InChIInChI=1S/C12H14F2N4/c1-2-12-17-9-5-7(13)8(14)6-10(9)18(12)4-3-11(15)16/h5-6H,2-4H2,1H3,(H3,15,16)
InChIKeyRJPDDXDBHRDFOE-UHFFFAOYSA-N
MW252.27 g/mol
LogP2.20
Rot. Bonds4

About 3-(2-ethyl-5,6-difluorobenzimidazol-1-yl)propanimidamide

3-(2-ethyl-5,6-difluorobenzimidazol-1-yl)propanimidamide (PubChem CID 83967829) has the molecular formula C12H14F2N4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 3-(2-ethyl-5,6-difluorobenzimidazol-1-yl)propanimidamide.

Molecular Properties

Compound Name3-(2-ethyl-5,6-difluorobenzimidazol-1-yl)propanimidamide
PubChem CID83967829
Molecular FormulaC12H14F2N4
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name3-(2-ethyl-5,6-difluorobenzimidazol-1-yl)propanimidamide
SMILES[H]/N=C(\N)CCn1c(CC)nc2cc(F)c(F)cc21
InChIInChI=1S/C12H14F2N4/c1-2-12-17-9-5-7(13)8(14)6-10(9)18(12)4-3-11(15)16/h5-6H,2-4H2,1H3,(H3,15,16)
InChIKeyRJPDDXDBHRDFOE-UHFFFAOYSA-N
XLogP2.20
TPSA67.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-(2-ethyl-5,6-difluorobenzimidazol-1-yl)propanenitrile
CID 82146074
3-(5,6-difluoro-2-propylbenzimidazol-1-yl)propanethioamide
CID 82149890
3-(5,6-difluoro-1-methylbenzimidazol-2-yl)sulfanylpropanimidamide
CID 84617130
3-[5,6-difluoro-2-(2-methylpropyl)benzimidazol-1-yl]propanethioamide
CID 82149895
2-ethyl-5,6-difluoro-1-(2-piperidin-2-ylethyl)benzimidazole
CID 82149978
3-(5,6-difluoro-2-propylbenzimidazol-1-yl)propan-1-amine
CID 82146076
3-[2-(2-ethyl-5,6-difluorobenzimidazol-1-yl)ethoxy]aniline
CID 94757335
N-(2-aminoethyl)-3-(2-butyl-5,6-difluorobenzimidazol-1-yl)propanamide
CID 82150236
1-ethyl-5,6-difluorobenzimidazol-2-amine
CID 82359171
4-(2-butyl-5,6-difluorobenzimidazol-1-yl)butanoic acid
CID 82150067
3-[5,6-difluoro-2-(2-methoxyethyl)benzimidazol-1-yl]propanoic acid
CID 62805309
3-[5,6-difluoro-2-(trifluoromethyl)benzimidazol-1-yl]propanethioamide
CID 94756559

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyl-5,6-difluorobenzimidazol-1-yl)propanimidamide?
The IUPAC name of 3-(2-ethyl-5,6-difluorobenzimidazol-1-yl)propanimidamide (CID 83967829) is 3-(2-ethyl-5,6-difluorobenzimidazol-1-yl)propanimidamide.
What is the SMILES notation for 3-(2-ethyl-5,6-difluorobenzimidazol-1-yl)propanimidamide?
The canonical SMILES for 3-(2-ethyl-5,6-difluorobenzimidazol-1-yl)propanimidamide is [H]/N=C(\N)CCn1c(CC)nc2cc(F)c(F)cc21.
What is the InChIKey of 3-(2-ethyl-5,6-difluorobenzimidazol-1-yl)propanimidamide?
The InChIKey is RJPDDXDBHRDFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N4/c1-2-12-17-9-5-7(13)8(14)6-10(9)18(12)4-3-11(15)16/h5-6H,2-4H2,1H3,(H3,15,16).
What are the key properties of 3-(2-ethyl-5,6-difluorobenzimidazol-1-yl)propanimidamide?
3-(2-ethyl-5,6-difluorobenzimidazol-1-yl)propanimidamide has a molecular weight of 252.27 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyl-5,6-difluorobenzimidazol-1-yl)propanimidamide is sourced from PubChem (CID 83967829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).