3-(5,6-difluoro-2-propylbenzimidazol-1-yl)propan-1-amine

C13H17F2N3 — CID 82146076

IUPAC3-(5,6-difluoro-2-propylbenzimidazol-1-yl)propan-1-amine
SMILESCCCc1nc2cc(F)c(F)cc2n1CCCN
InChIInChI=1S/C13H17F2N3/c1-2-4-13-17-11-7-9(14)10(15)8-12(11)18(13)6-3-5-16/h7-8H,2-6,16H2,1H3
InChIKeyBAEOADVILKNFTB-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.62
Rot. Bonds5

About 3-(5,6-difluoro-2-propylbenzimidazol-1-yl)propan-1-amine

3-(5,6-difluoro-2-propylbenzimidazol-1-yl)propan-1-amine (PubChem CID 82146076) has the molecular formula C13H17F2N3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 3-(5,6-difluoro-2-propylbenzimidazol-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(5,6-difluoro-2-propylbenzimidazol-1-yl)propan-1-amine
PubChem CID82146076
Molecular FormulaC13H17F2N3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name3-(5,6-difluoro-2-propylbenzimidazol-1-yl)propan-1-amine
SMILESCCCc1nc2cc(F)c(F)cc2n1CCCN
InChIInChI=1S/C13H17F2N3/c1-2-4-13-17-11-7-9(14)10(15)8-12(11)18(13)6-3-5-16/h7-8H,2-6,16H2,1H3
InChIKeyBAEOADVILKNFTB-UHFFFAOYSA-N
XLogP2.62
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5,6-dimethyl-2-propylbenzimidazol-1-yl)propan-1-amine
CID 82145072
3-(5,6-difluoro-2-propylbenzimidazol-1-yl)propanethioamide
CID 82149890
4-(2-butyl-5,6-difluorobenzimidazol-1-yl)butanoic acid
CID 82150067
N-(2-aminoethyl)-3-(2-butyl-5,6-difluorobenzimidazol-1-yl)propanamide
CID 82150236
3-(5,6-difluoro-2-phenylbenzimidazol-1-yl)propan-1-amine
CID 82146184
3-(5,6-difluoro-2-thiophen-2-ylbenzimidazol-1-yl)propan-1-amine
CID 82146177
3-(5-chloro-1-hexylbenzimidazol-2-yl)propan-1-amine
CID 82332507
4-[1-(3-aminopropyl)-5,6-difluorobenzimidazol-2-yl]aniline
CID 82146344
5-[1-(3-aminopropyl)-5,6-difluorobenzimidazol-2-yl]-2-methylaniline
CID 94750354
3-(1-butyl-5-propan-2-ylbenzimidazol-2-yl)propan-1-amine
CID 82333924
N-[[1-(3-aminopropyl)-5-fluorobenzimidazol-2-yl]methyl]-N-methylbutan-1-amine
CID 82310769
1-ethyl-5,6-difluorobenzimidazol-2-amine
CID 82359171

Frequently Asked Questions

What is the IUPAC name of 3-(5,6-difluoro-2-propylbenzimidazol-1-yl)propan-1-amine?
The IUPAC name of 3-(5,6-difluoro-2-propylbenzimidazol-1-yl)propan-1-amine (CID 82146076) is 3-(5,6-difluoro-2-propylbenzimidazol-1-yl)propan-1-amine.
What is the SMILES notation for 3-(5,6-difluoro-2-propylbenzimidazol-1-yl)propan-1-amine?
The canonical SMILES for 3-(5,6-difluoro-2-propylbenzimidazol-1-yl)propan-1-amine is CCCc1nc2cc(F)c(F)cc2n1CCCN.
What is the InChIKey of 3-(5,6-difluoro-2-propylbenzimidazol-1-yl)propan-1-amine?
The InChIKey is BAEOADVILKNFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N3/c1-2-4-13-17-11-7-9(14)10(15)8-12(11)18(13)6-3-5-16/h7-8H,2-6,16H2,1H3.
What are the key properties of 3-(5,6-difluoro-2-propylbenzimidazol-1-yl)propan-1-amine?
3-(5,6-difluoro-2-propylbenzimidazol-1-yl)propan-1-amine has a molecular weight of 253.30 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-difluoro-2-propylbenzimidazol-1-yl)propan-1-amine is sourced from PubChem (CID 82146076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).