N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1-naphthalen-2-yltetrazole-5-carboxamide

C22H18FN7O — CID 20595244

IUPACN-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1-naphthalen-2-yltetrazole-5-carboxamide
SMILESCN1CCN=C1c1ccc(NC(=O)c2nnnn2-c2ccc3ccccc3c2)c(F)c1
InChIInChI=1S/C22H18FN7O/c1-29-11-10-24-20(29)16-7-9-19(18(23)13-16)25-22(31)21-26-27-28-30(21)17-8-6-14-4-2-3-5-15(14)12-17/h2-9,12-13H,10-11H2,1H3,(H,25,31)
InChIKeyOHTKYKHUBZXTNI-UHFFFAOYSA-N
MW415.43 g/mol
LogP2.90
Rot. Bonds4

About N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1-naphthalen-2-yltetrazole-5-carboxamide

N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1-naphthalen-2-yltetrazole-5-carboxamide (PubChem CID 20595244) has the molecular formula C22H18FN7O and a molecular weight of 415.43 g/mol. Its IUPAC name is N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1-naphthalen-2-yltetrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1-naphthalen-2-yltetrazole-5-carboxamide
PubChem CID20595244
Molecular FormulaC22H18FN7O
Molecular Weight415.43 g/mol
Exact Mass415.16
IUPAC NameN-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1-naphthalen-2-yltetrazole-5-carboxamide
SMILESCN1CCN=C1c1ccc(NC(=O)c2nnnn2-c2ccc3ccccc3c2)c(F)c1
InChIInChI=1S/C22H18FN7O/c1-29-11-10-24-20(29)16-7-9-19(18(23)13-16)25-22(31)21-26-27-28-30(21)17-8-6-14-4-2-3-5-15(14)12-17/h2-9,12-13H,10-11H2,1H3,(H,25,31)
InChIKeyOHTKYKHUBZXTNI-UHFFFAOYSA-N
XLogP2.90
TPSA88.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.43
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1-naphthalen-2-yltetrazole-5-carboxamide?
The IUPAC name of N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1-naphthalen-2-yltetrazole-5-carboxamide (CID 20595244) is N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1-naphthalen-2-yltetrazole-5-carboxamide.
What is the SMILES notation for N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1-naphthalen-2-yltetrazole-5-carboxamide?
The canonical SMILES for N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1-naphthalen-2-yltetrazole-5-carboxamide is CN1CCN=C1c1ccc(NC(=O)c2nnnn2-c2ccc3ccccc3c2)c(F)c1.
What is the InChIKey of N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1-naphthalen-2-yltetrazole-5-carboxamide?
The InChIKey is OHTKYKHUBZXTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN7O/c1-29-11-10-24-20(29)16-7-9-19(18(23)13-16)25-22(31)21-26-27-28-30(21)17-8-6-14-4-2-3-5-15(14)12-17/h2-9,12-13H,10-11H2,1H3,(H,25,31).
What are the key properties of N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1-naphthalen-2-yltetrazole-5-carboxamide?
N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1-naphthalen-2-yltetrazole-5-carboxamide has a molecular weight of 415.43 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1-naphthalen-2-yltetrazole-5-carboxamide is sourced from PubChem (CID 20595244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).