3-(1-ethylbenzimidazol-2-yl)-1,1-difluoro-N-propylpropan-2-amine

C15H21F2N3 — CID 103516858

IUPAC3-(1-ethylbenzimidazol-2-yl)-1,1-difluoro-N-propylpropan-2-amine
SMILESCCCNC(Cc1nc2ccccc2n1CC)C(F)F
InChIInChI=1S/C15H21F2N3/c1-3-9-18-12(15(16)17)10-14-19-11-7-5-6-8-13(11)20(14)4-2/h5-8,12,15,18H,3-4,9-10H2,1-2H3
InChIKeyOIYIEPOFKGYKCE-UHFFFAOYSA-N
MW281.35 g/mol
LogP3.23
Rot. Bonds7

About 3-(1-ethylbenzimidazol-2-yl)-1,1-difluoro-N-propylpropan-2-amine

3-(1-ethylbenzimidazol-2-yl)-1,1-difluoro-N-propylpropan-2-amine (PubChem CID 103516858) has the molecular formula C15H21F2N3 and a molecular weight of 281.35 g/mol. Its IUPAC name is 3-(1-ethylbenzimidazol-2-yl)-1,1-difluoro-N-propylpropan-2-amine.

Molecular Properties

Compound Name3-(1-ethylbenzimidazol-2-yl)-1,1-difluoro-N-propylpropan-2-amine
PubChem CID103516858
Molecular FormulaC15H21F2N3
Molecular Weight281.35 g/mol
Exact Mass281.17
IUPAC Name3-(1-ethylbenzimidazol-2-yl)-1,1-difluoro-N-propylpropan-2-amine
SMILESCCCNC(Cc1nc2ccccc2n1CC)C(F)F
InChIInChI=1S/C15H21F2N3/c1-3-9-18-12(15(16)17)10-14-19-11-7-5-6-8-13(11)20(14)4-2/h5-8,12,15,18H,3-4,9-10H2,1-2H3
InChIKeyOIYIEPOFKGYKCE-UHFFFAOYSA-N
XLogP3.23
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(1-ethylbenzimidazol-2-yl)-1,1-difluoro-N-propylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1-difluoro-N-propyl-3-(1-propylbenzimidazol-2-yl)propan-2-amine
CID 103516847
N-ethyl-3-(1-ethylbenzimidazol-2-yl)-1,1-difluoropropan-2-amine
CID 103516859
3-(1-ethylbenzimidazol-2-yl)-1,1,1-trifluoro-N-propylpropan-2-amine
CID 105007759
N-ethyl-1-(1-ethylbenzimidazol-2-yl)-3-methylhexan-2-amine
CID 105007782
1-(1-ethylbenzimidazol-2-yl)propan-2-ol
CID 79753828
N-[(1-ethylbenzimidazol-2-yl)methyl]-2,2-difluoroethanamine
CID 113303573
4-(1-ethylbenzimidazol-2-yl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 81011531
1-methylsulfanyl-N-propyl-3-(1-propylbenzimidazol-2-yl)propan-2-amine
CID 79756659
3-methyl-1-(1-methylbenzimidazol-2-yl)-N-propylhexan-2-amine
CID 105007682
N-ethyl-1-(1-ethylbenzimidazol-2-yl)-3-methoxypropan-2-amine
CID 79751150
[1-(1-ethylbenzimidazol-2-yl)-3-methoxy-4-methylpentan-2-yl]hydrazine
CID 105272000
3-methoxy-1-(1-methylbenzimidazol-2-yl)-N-propylpentan-2-amine
CID 116716179

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylbenzimidazol-2-yl)-1,1-difluoro-N-propylpropan-2-amine?
The IUPAC name of 3-(1-ethylbenzimidazol-2-yl)-1,1-difluoro-N-propylpropan-2-amine (CID 103516858) is 3-(1-ethylbenzimidazol-2-yl)-1,1-difluoro-N-propylpropan-2-amine.
What is the SMILES notation for 3-(1-ethylbenzimidazol-2-yl)-1,1-difluoro-N-propylpropan-2-amine?
The canonical SMILES for 3-(1-ethylbenzimidazol-2-yl)-1,1-difluoro-N-propylpropan-2-amine is CCCNC(Cc1nc2ccccc2n1CC)C(F)F.
What is the InChIKey of 3-(1-ethylbenzimidazol-2-yl)-1,1-difluoro-N-propylpropan-2-amine?
The InChIKey is OIYIEPOFKGYKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N3/c1-3-9-18-12(15(16)17)10-14-19-11-7-5-6-8-13(11)20(14)4-2/h5-8,12,15,18H,3-4,9-10H2,1-2H3.
What are the key properties of 3-(1-ethylbenzimidazol-2-yl)-1,1-difluoro-N-propylpropan-2-amine?
3-(1-ethylbenzimidazol-2-yl)-1,1-difluoro-N-propylpropan-2-amine has a molecular weight of 281.35 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylbenzimidazol-2-yl)-1,1-difluoro-N-propylpropan-2-amine is sourced from PubChem (CID 103516858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).