2-[2-[1-(dimethylamino)propyl]-5-fluorobenzimidazol-1-yl]acetonitrile

C14H17FN4 — CID 82311236

IUPAC2-[2-[1-(dimethylamino)propyl]-5-fluorobenzimidazol-1-yl]acetonitrile
SMILESCCC(c1nc2cc(F)ccc2n1CC#N)N(C)C
InChIInChI=1S/C14H17FN4/c1-4-12(18(2)3)14-17-11-9-10(15)5-6-13(11)19(14)8-7-16/h5-6,9,12H,4,8H2,1-3H3
InChIKeyGGUCEMSKWPATTC-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.71
Rot. Bonds4

About 2-[2-[1-(dimethylamino)propyl]-5-fluorobenzimidazol-1-yl]acetonitrile

2-[2-[1-(dimethylamino)propyl]-5-fluorobenzimidazol-1-yl]acetonitrile (PubChem CID 82311236) has the molecular formula C14H17FN4 and a molecular weight of 260.32 g/mol. Its IUPAC name is 2-[2-[1-(dimethylamino)propyl]-5-fluorobenzimidazol-1-yl]acetonitrile.

Molecular Properties

Compound Name2-[2-[1-(dimethylamino)propyl]-5-fluorobenzimidazol-1-yl]acetonitrile
PubChem CID82311236
Molecular FormulaC14H17FN4
Molecular Weight260.32 g/mol
Exact Mass260.14
IUPAC Name2-[2-[1-(dimethylamino)propyl]-5-fluorobenzimidazol-1-yl]acetonitrile
SMILESCCC(c1nc2cc(F)ccc2n1CC#N)N(C)C
InChIInChI=1S/C14H17FN4/c1-4-12(18(2)3)14-17-11-9-10(15)5-6-13(11)19(14)8-7-16/h5-6,9,12H,4,8H2,1-3H3
InChIKeyGGUCEMSKWPATTC-UHFFFAOYSA-N
XLogP2.71
TPSA44.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[1-(dimethylamino)propyl]-5-ethylbenzimidazol-1-yl]acetonitrile
CID 82311241
2-[2-[1-(dimethylamino)propyl]-5-methoxybenzimidazol-1-yl]acetonitrile
CID 82311242
1-[2-[1-(dimethylamino)propyl]-5-fluorobenzimidazol-1-yl]butan-2-amine
CID 82311438
1-[1-(3-aminopropyl)-5-fluorobenzimidazol-2-yl]-N,N-dimethylpropan-1-amine
CID 82310809
2-[2-[1-[butyl(methyl)amino]propyl]benzimidazol-1-yl]acetonitrile
CID 82311251
2-(1-bromopropyl)-5-fluoro-1-propylbenzimidazole
CID 82332408
2-[5-methyl-2-(1-pyrrolidin-1-ylpropyl)benzimidazol-1-yl]acetonitrile
CID 82311237
2-[5-fluoro-2-(piperidin-1-ylmethyl)benzimidazol-1-yl]acetonitrile
CID 82311161
2-[2-[1-(dimethylamino)-2-methylpropyl]-5-fluorobenzimidazol-1-yl]ethanol
CID 82311768
2-[5-fluoro-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]acetonitrile
CID 82332299
4-[2-[1-(dimethylamino)ethyl]-5-fluorobenzimidazol-1-yl]butan-1-amine
CID 82310864
2-(6-pentan-3-yl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)acetonitrile
CID 39158205

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(dimethylamino)propyl]-5-fluorobenzimidazol-1-yl]acetonitrile?
The IUPAC name of 2-[2-[1-(dimethylamino)propyl]-5-fluorobenzimidazol-1-yl]acetonitrile (CID 82311236) is 2-[2-[1-(dimethylamino)propyl]-5-fluorobenzimidazol-1-yl]acetonitrile.
What is the SMILES notation for 2-[2-[1-(dimethylamino)propyl]-5-fluorobenzimidazol-1-yl]acetonitrile?
The canonical SMILES for 2-[2-[1-(dimethylamino)propyl]-5-fluorobenzimidazol-1-yl]acetonitrile is CCC(c1nc2cc(F)ccc2n1CC#N)N(C)C.
What is the InChIKey of 2-[2-[1-(dimethylamino)propyl]-5-fluorobenzimidazol-1-yl]acetonitrile?
The InChIKey is GGUCEMSKWPATTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4/c1-4-12(18(2)3)14-17-11-9-10(15)5-6-13(11)19(14)8-7-16/h5-6,9,12H,4,8H2,1-3H3.
What are the key properties of 2-[2-[1-(dimethylamino)propyl]-5-fluorobenzimidazol-1-yl]acetonitrile?
2-[2-[1-(dimethylamino)propyl]-5-fluorobenzimidazol-1-yl]acetonitrile has a molecular weight of 260.32 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(dimethylamino)propyl]-5-fluorobenzimidazol-1-yl]acetonitrile is sourced from PubChem (CID 82311236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).