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

C16H15F2N3 — CID 82146184

IUPAC3-(5,6-difluoro-2-phenylbenzimidazol-1-yl)propan-1-amine
SMILESNCCCn1c(-c2ccccc2)nc2cc(F)c(F)cc21
InChIInChI=1S/C16H15F2N3/c17-12-9-14-15(10-13(12)18)21(8-4-7-19)16(20-14)11-5-2-1-3-6-11/h1-3,5-6,9-10H,4,7-8,19H2
InChIKeyGTXYBEPWJMXXHV-UHFFFAOYSA-N
MW287.31 g/mol
LogP3.33
Rot. Bonds4

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

3-(5,6-difluoro-2-phenylbenzimidazol-1-yl)propan-1-amine (PubChem CID 82146184) has the molecular formula C16H15F2N3 and a molecular weight of 287.31 g/mol. Its IUPAC name is 3-(5,6-difluoro-2-phenylbenzimidazol-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(5,6-difluoro-2-phenylbenzimidazol-1-yl)propan-1-amine
PubChem CID82146184
Molecular FormulaC16H15F2N3
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC Name3-(5,6-difluoro-2-phenylbenzimidazol-1-yl)propan-1-amine
SMILESNCCCn1c(-c2ccccc2)nc2cc(F)c(F)cc21
InChIInChI=1S/C16H15F2N3/c17-12-9-14-15(10-13(12)18)21(8-4-7-19)16(20-14)11-5-2-1-3-6-11/h1-3,5-6,9-10H,4,7-8,19H2
InChIKeyGTXYBEPWJMXXHV-UHFFFAOYSA-N
XLogP3.33
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(3-aminopropyl)-5,6-difluorobenzimidazol-2-yl]aniline
CID 82146344
3-(5,6-difluoro-2-phenylbenzimidazol-1-yl)propanoic acid
CID 82146187
5-[1-(3-aminopropyl)-5,6-difluorobenzimidazol-2-yl]-2-methylaniline
CID 94750354
3-(5,6-difluoro-2-thiophen-2-ylbenzimidazol-1-yl)propan-1-amine
CID 82146177
1-(3-aminopropyl)-2-phenylbenzimidazole-5-carboxamide
CID 122192066
3-(5,6-dichloro-2-pyridin-4-ylbenzimidazol-1-yl)propan-1-amine
CID 94749237
4-[2-(4-fluorophenyl)-5,6-dimethylbenzimidazol-1-yl]butan-1-amine
CID 94748001
2-[2-(3,4-dimethylphenyl)-5,6-difluorobenzimidazol-1-yl]ethanamine
CID 82146233
2-(5,6-dimethoxy-2-phenylbenzimidazol-1-yl)ethanamine
CID 82145483
3-(5,6-difluoro-2-propylbenzimidazol-1-yl)propan-1-amine
CID 82146076
3-[6-(3-methylphenyl)-[1,3]dioxolo[4,5-f]benzimidazol-7-yl]propan-1-amine
CID 94748670
4-[5,6-difluoro-2-(2-fluorophenyl)benzimidazol-1-yl]butanenitrile
CID 94757427

Frequently Asked Questions

What is the IUPAC name of 3-(5,6-difluoro-2-phenylbenzimidazol-1-yl)propan-1-amine?
The IUPAC name of 3-(5,6-difluoro-2-phenylbenzimidazol-1-yl)propan-1-amine (CID 82146184) is 3-(5,6-difluoro-2-phenylbenzimidazol-1-yl)propan-1-amine.
What is the SMILES notation for 3-(5,6-difluoro-2-phenylbenzimidazol-1-yl)propan-1-amine?
The canonical SMILES for 3-(5,6-difluoro-2-phenylbenzimidazol-1-yl)propan-1-amine is NCCCn1c(-c2ccccc2)nc2cc(F)c(F)cc21.
What is the InChIKey of 3-(5,6-difluoro-2-phenylbenzimidazol-1-yl)propan-1-amine?
The InChIKey is GTXYBEPWJMXXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3/c17-12-9-14-15(10-13(12)18)21(8-4-7-19)16(20-14)11-5-2-1-3-6-11/h1-3,5-6,9-10H,4,7-8,19H2.
What are the key properties of 3-(5,6-difluoro-2-phenylbenzimidazol-1-yl)propan-1-amine?
3-(5,6-difluoro-2-phenylbenzimidazol-1-yl)propan-1-amine has a molecular weight of 287.31 g/mol, XLogP of 3.33, 4 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-phenylbenzimidazol-1-yl)propan-1-amine is sourced from PubChem (CID 82146184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).