N-[(1-ethylbenzimidazol-2-yl)methyl]-2,2-difluoroethanamine

C12H15F2N3 — CID 113303573

IUPACN-[(1-ethylbenzimidazol-2-yl)methyl]-2,2-difluoroethanamine
SMILESCCn1c(CNCC(F)F)nc2ccccc21
InChIInChI=1S/C12H15F2N3/c1-2-17-10-6-4-3-5-9(10)16-12(17)8-15-7-11(13)14/h3-6,11,15H,2,7-8H2,1H3
InChIKeyOPKWQQCWKIEXLE-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.41
Rot. Bonds5

About N-[(1-ethylbenzimidazol-2-yl)methyl]-2,2-difluoroethanamine

N-[(1-ethylbenzimidazol-2-yl)methyl]-2,2-difluoroethanamine (PubChem CID 113303573) has the molecular formula C12H15F2N3 and a molecular weight of 239.27 g/mol. Its IUPAC name is N-[(1-ethylbenzimidazol-2-yl)methyl]-2,2-difluoroethanamine.

Molecular Properties

Compound NameN-[(1-ethylbenzimidazol-2-yl)methyl]-2,2-difluoroethanamine
PubChem CID113303573
Molecular FormulaC12H15F2N3
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC NameN-[(1-ethylbenzimidazol-2-yl)methyl]-2,2-difluoroethanamine
SMILESCCn1c(CNCC(F)F)nc2ccccc21
InChIInChI=1S/C12H15F2N3/c1-2-17-10-6-4-3-5-9(10)16-12(17)8-15-7-11(13)14/h3-6,11,15H,2,7-8H2,1H3
InChIKeyOPKWQQCWKIEXLE-UHFFFAOYSA-N
XLogP2.41
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-ethylbenzimidazol-2-yl)methylhydrazine
CID 53275104
1-cyclopropyl-N-[(1-ethylbenzimidazol-2-yl)methyl]methanamine
CID 43655424
N-[(1-ethylbenzimidazol-2-yl)methyl]-3,3-dimethylbutan-1-amine
CID 115574819
2-[(1-ethylbenzimidazol-2-yl)methylamino]-N-methylacetamide
CID 60673139
N-ethyl-3-(1-ethylbenzimidazol-2-yl)-1,1-difluoropropan-2-amine
CID 103516859
2-(1-ethylbenzimidazol-2-yl)acetaldehyde
CID 79753358
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methylsulfonylethanamine
CID 47145524
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methylpropan-1-amine
CID 79750930
3-ethyl-N-[(1-ethylbenzimidazol-2-yl)methyl]pentan-2-amine
CID 63842235
3-(1-ethylbenzimidazol-2-yl)-1,1-difluoro-N-propylpropan-2-amine
CID 103516858
2-[2-[(1-ethylbenzimidazol-2-yl)methylamino]ethoxy]ethanol
CID 54906324
N-[(1-ethylbenzimidazol-2-yl)methyl]-6-fluoropyridin-3-amine
CID 103825866

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylbenzimidazol-2-yl)methyl]-2,2-difluoroethanamine?
The IUPAC name of N-[(1-ethylbenzimidazol-2-yl)methyl]-2,2-difluoroethanamine (CID 113303573) is N-[(1-ethylbenzimidazol-2-yl)methyl]-2,2-difluoroethanamine.
What is the SMILES notation for N-[(1-ethylbenzimidazol-2-yl)methyl]-2,2-difluoroethanamine?
The canonical SMILES for N-[(1-ethylbenzimidazol-2-yl)methyl]-2,2-difluoroethanamine is CCn1c(CNCC(F)F)nc2ccccc21.
What is the InChIKey of N-[(1-ethylbenzimidazol-2-yl)methyl]-2,2-difluoroethanamine?
The InChIKey is OPKWQQCWKIEXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N3/c1-2-17-10-6-4-3-5-9(10)16-12(17)8-15-7-11(13)14/h3-6,11,15H,2,7-8H2,1H3.
What are the key properties of N-[(1-ethylbenzimidazol-2-yl)methyl]-2,2-difluoroethanamine?
N-[(1-ethylbenzimidazol-2-yl)methyl]-2,2-difluoroethanamine has a molecular weight of 239.27 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylbenzimidazol-2-yl)methyl]-2,2-difluoroethanamine is sourced from PubChem (CID 113303573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).