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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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).