5-[2-(3-ethyl-2H-benzimidazol-1-yl)propan-2-yl]-2-fluorobenzonitrile

C19H20FN3 — CID 58106855

IUPAC5-[2-(3-ethyl-2H-benzimidazol-1-yl)propan-2-yl]-2-fluorobenzonitrile
SMILESCCN1CN(C(C)(C)c2ccc(F)c(C#N)c2)c2ccccc21
InChIInChI=1S/C19H20FN3/c1-4-22-13-23(18-8-6-5-7-17(18)22)19(2,3)15-9-10-16(20)14(11-15)12-21/h5-11H,4,13H2,1-3H3
InChIKeyASXXCUWBKNCMQG-UHFFFAOYSA-N
MW309.39 g/mol
LogP4.24
Rot. Bonds3

About 5-[2-(3-ethyl-2H-benzimidazol-1-yl)propan-2-yl]-2-fluorobenzonitrile

5-[2-(3-ethyl-2H-benzimidazol-1-yl)propan-2-yl]-2-fluorobenzonitrile (PubChem CID 58106855) has the molecular formula C19H20FN3 and a molecular weight of 309.39 g/mol. Its IUPAC name is 5-[2-(3-ethyl-2H-benzimidazol-1-yl)propan-2-yl]-2-fluorobenzonitrile.

Molecular Properties

Compound Name5-[2-(3-ethyl-2H-benzimidazol-1-yl)propan-2-yl]-2-fluorobenzonitrile
PubChem CID58106855
Molecular FormulaC19H20FN3
Molecular Weight309.39 g/mol
Exact Mass309.16
IUPAC Name5-[2-(3-ethyl-2H-benzimidazol-1-yl)propan-2-yl]-2-fluorobenzonitrile
SMILESCCN1CN(C(C)(C)c2ccc(F)c(C#N)c2)c2ccccc21
InChIInChI=1S/C19H20FN3/c1-4-22-13-23(18-8-6-5-7-17(18)22)19(2,3)15-9-10-16(20)14(11-15)12-21/h5-11H,4,13H2,1-3H3
InChIKeyASXXCUWBKNCMQG-UHFFFAOYSA-N
XLogP4.24
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-ethyl-2H-benzimidazol-1-yl)propan-2-yl]-2-fluorobenzonitrile?
The IUPAC name of 5-[2-(3-ethyl-2H-benzimidazol-1-yl)propan-2-yl]-2-fluorobenzonitrile (CID 58106855) is 5-[2-(3-ethyl-2H-benzimidazol-1-yl)propan-2-yl]-2-fluorobenzonitrile.
What is the SMILES notation for 5-[2-(3-ethyl-2H-benzimidazol-1-yl)propan-2-yl]-2-fluorobenzonitrile?
The canonical SMILES for 5-[2-(3-ethyl-2H-benzimidazol-1-yl)propan-2-yl]-2-fluorobenzonitrile is CCN1CN(C(C)(C)c2ccc(F)c(C#N)c2)c2ccccc21.
What is the InChIKey of 5-[2-(3-ethyl-2H-benzimidazol-1-yl)propan-2-yl]-2-fluorobenzonitrile?
The InChIKey is ASXXCUWBKNCMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3/c1-4-22-13-23(18-8-6-5-7-17(18)22)19(2,3)15-9-10-16(20)14(11-15)12-21/h5-11H,4,13H2,1-3H3.
What are the key properties of 5-[2-(3-ethyl-2H-benzimidazol-1-yl)propan-2-yl]-2-fluorobenzonitrile?
5-[2-(3-ethyl-2H-benzimidazol-1-yl)propan-2-yl]-2-fluorobenzonitrile has a molecular weight of 309.39 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-ethyl-2H-benzimidazol-1-yl)propan-2-yl]-2-fluorobenzonitrile is sourced from PubChem (CID 58106855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).