2-[5-[amino(oxolan-3-yl)methyl]imidazol-1-yl]-6-fluorobenzonitrile

C15H15FN4O — CID 114718077

IUPAC2-[5-[amino(oxolan-3-yl)methyl]imidazol-1-yl]-6-fluorobenzonitrile
SMILESN#Cc1c(F)cccc1-n1cncc1C(N)C1CCOC1
InChIInChI=1S/C15H15FN4O/c16-12-2-1-3-13(11(12)6-17)20-9-19-7-14(20)15(18)10-4-5-21-8-10/h1-3,7,9-10,15H,4-5,8,18H2
InChIKeySVZZSSFDAYQDNF-UHFFFAOYSA-N
MW286.31 g/mol
LogP1.92
Rot. Bonds3

About 2-[5-[amino(oxolan-3-yl)methyl]imidazol-1-yl]-6-fluorobenzonitrile

2-[5-[amino(oxolan-3-yl)methyl]imidazol-1-yl]-6-fluorobenzonitrile (PubChem CID 114718077) has the molecular formula C15H15FN4O and a molecular weight of 286.31 g/mol. Its IUPAC name is 2-[5-[amino(oxolan-3-yl)methyl]imidazol-1-yl]-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-[5-[amino(oxolan-3-yl)methyl]imidazol-1-yl]-6-fluorobenzonitrile
PubChem CID114718077
Molecular FormulaC15H15FN4O
Molecular Weight286.31 g/mol
Exact Mass286.12
IUPAC Name2-[5-[amino(oxolan-3-yl)methyl]imidazol-1-yl]-6-fluorobenzonitrile
SMILESN#Cc1c(F)cccc1-n1cncc1C(N)C1CCOC1
InChIInChI=1S/C15H15FN4O/c16-12-2-1-3-13(11(12)6-17)20-9-19-7-14(20)15(18)10-4-5-21-8-10/h1-3,7,9-10,15H,4-5,8,18H2
InChIKeySVZZSSFDAYQDNF-UHFFFAOYSA-N
XLogP1.92
TPSA76.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[amino(oxolan-3-yl)methyl]imidazol-1-yl]-6-fluorobenzonitrile?
The IUPAC name of 2-[5-[amino(oxolan-3-yl)methyl]imidazol-1-yl]-6-fluorobenzonitrile (CID 114718077) is 2-[5-[amino(oxolan-3-yl)methyl]imidazol-1-yl]-6-fluorobenzonitrile.
What is the SMILES notation for 2-[5-[amino(oxolan-3-yl)methyl]imidazol-1-yl]-6-fluorobenzonitrile?
The canonical SMILES for 2-[5-[amino(oxolan-3-yl)methyl]imidazol-1-yl]-6-fluorobenzonitrile is N#Cc1c(F)cccc1-n1cncc1C(N)C1CCOC1.
What is the InChIKey of 2-[5-[amino(oxolan-3-yl)methyl]imidazol-1-yl]-6-fluorobenzonitrile?
The InChIKey is SVZZSSFDAYQDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O/c16-12-2-1-3-13(11(12)6-17)20-9-19-7-14(20)15(18)10-4-5-21-8-10/h1-3,7,9-10,15H,4-5,8,18H2.
What are the key properties of 2-[5-[amino(oxolan-3-yl)methyl]imidazol-1-yl]-6-fluorobenzonitrile?
2-[5-[amino(oxolan-3-yl)methyl]imidazol-1-yl]-6-fluorobenzonitrile has a molecular weight of 286.31 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[amino(oxolan-3-yl)methyl]imidazol-1-yl]-6-fluorobenzonitrile is sourced from PubChem (CID 114718077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).