1,1-difluoro-N-propyl-3-(1-propylbenzimidazol-2-yl)propan-2-amine

C16H23F2N3 — CID 103516847

IUPAC1,1-difluoro-N-propyl-3-(1-propylbenzimidazol-2-yl)propan-2-amine
SMILESCCCNC(Cc1nc2ccccc2n1CCC)C(F)F
InChIInChI=1S/C16H23F2N3/c1-3-9-19-13(16(17)18)11-15-20-12-7-5-6-8-14(12)21(15)10-4-2/h5-8,13,16,19H,3-4,9-11H2,1-2H3
InChIKeyGNKSCRAIJAYJSC-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.62
Rot. Bonds8

About 1,1-difluoro-N-propyl-3-(1-propylbenzimidazol-2-yl)propan-2-amine

1,1-difluoro-N-propyl-3-(1-propylbenzimidazol-2-yl)propan-2-amine (PubChem CID 103516847) has the molecular formula C16H23F2N3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 1,1-difluoro-N-propyl-3-(1-propylbenzimidazol-2-yl)propan-2-amine.

Molecular Properties

Compound Name1,1-difluoro-N-propyl-3-(1-propylbenzimidazol-2-yl)propan-2-amine
PubChem CID103516847
Molecular FormulaC16H23F2N3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name1,1-difluoro-N-propyl-3-(1-propylbenzimidazol-2-yl)propan-2-amine
SMILESCCCNC(Cc1nc2ccccc2n1CCC)C(F)F
InChIInChI=1S/C16H23F2N3/c1-3-9-19-13(16(17)18)11-15-20-12-7-5-6-8-14(12)21(15)10-4-2/h5-8,13,16,19H,3-4,9-11H2,1-2H3
InChIKeyGNKSCRAIJAYJSC-UHFFFAOYSA-N
XLogP3.62
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-ethylbenzimidazol-2-yl)-1,1-difluoro-N-propylpropan-2-amine
CID 103516858
N-ethyl-3-(1-ethylbenzimidazol-2-yl)-1,1-difluoropropan-2-amine
CID 103516859
1-methylsulfanyl-N-propyl-3-(1-propylbenzimidazol-2-yl)propan-2-amine
CID 79756659
N,3-dimethyl-1-(1-propylbenzimidazol-2-yl)pentan-2-amine
CID 79751005
[1,1,1-trifluoro-3-(1-propylbenzimidazol-2-yl)propan-2-yl]hydrazine
CID 105215870
1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole
CID 102471082
3-(1-ethylbenzimidazol-2-yl)-1,1,1-trifluoro-N-propylpropan-2-amine
CID 105007759
3-methyl-1-(1-methylbenzimidazol-2-yl)-N-propylhexan-2-amine
CID 105007682
[3-methoxy-1-(1-propylbenzimidazol-2-yl)pentan-2-yl]hydrazine
CID 105270881
3,3-dimethyl-1-(1-propylbenzimidazol-2-yl)butan-2-amine
CID 79754185
N-propan-2-yl-4-(1-propylbenzimidazol-2-yl)butan-1-amine
CID 79750199
3-methoxy-1-(1-methylbenzimidazol-2-yl)-N-propylpentan-2-amine
CID 116716179

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-propyl-3-(1-propylbenzimidazol-2-yl)propan-2-amine?
The IUPAC name of 1,1-difluoro-N-propyl-3-(1-propylbenzimidazol-2-yl)propan-2-amine (CID 103516847) is 1,1-difluoro-N-propyl-3-(1-propylbenzimidazol-2-yl)propan-2-amine.
What is the SMILES notation for 1,1-difluoro-N-propyl-3-(1-propylbenzimidazol-2-yl)propan-2-amine?
The canonical SMILES for 1,1-difluoro-N-propyl-3-(1-propylbenzimidazol-2-yl)propan-2-amine is CCCNC(Cc1nc2ccccc2n1CCC)C(F)F.
What is the InChIKey of 1,1-difluoro-N-propyl-3-(1-propylbenzimidazol-2-yl)propan-2-amine?
The InChIKey is GNKSCRAIJAYJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N3/c1-3-9-19-13(16(17)18)11-15-20-12-7-5-6-8-14(12)21(15)10-4-2/h5-8,13,16,19H,3-4,9-11H2,1-2H3.
What are the key properties of 1,1-difluoro-N-propyl-3-(1-propylbenzimidazol-2-yl)propan-2-amine?
1,1-difluoro-N-propyl-3-(1-propylbenzimidazol-2-yl)propan-2-amine has a molecular weight of 295.38 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-propyl-3-(1-propylbenzimidazol-2-yl)propan-2-amine is sourced from PubChem (CID 103516847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).