1-(6-chloronaphthalen-2-yl)-N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]tetrazole-5-carboxamide

C22H17ClFN7O — CID 21366475

IUPAC1-(6-chloronaphthalen-2-yl)-N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]tetrazole-5-carboxamide
SMILESCN1CCN=C1c1ccc(NC(=O)c2nnnn2-c2ccc3cc(Cl)ccc3c2)c(F)c1
InChIInChI=1S/C22H17ClFN7O/c1-30-9-8-25-20(30)15-4-7-19(18(24)12-15)26-22(32)21-27-28-29-31(21)17-6-3-13-10-16(23)5-2-14(13)11-17/h2-7,10-12H,8-9H2,1H3,(H,26,32)
InChIKeyGBDXFRGPUGGDMZ-UHFFFAOYSA-N
MW449.88 g/mol
LogP3.55
Rot. Bonds4

About 1-(6-chloronaphthalen-2-yl)-N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]tetrazole-5-carboxamide

1-(6-chloronaphthalen-2-yl)-N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]tetrazole-5-carboxamide (PubChem CID 21366475) has the molecular formula C22H17ClFN7O and a molecular weight of 449.88 g/mol. Its IUPAC name is 1-(6-chloronaphthalen-2-yl)-N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]tetrazole-5-carboxamide.

Molecular Properties

Compound Name1-(6-chloronaphthalen-2-yl)-N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]tetrazole-5-carboxamide
PubChem CID21366475
Molecular FormulaC22H17ClFN7O
Molecular Weight449.88 g/mol
Exact Mass449.12
IUPAC Name1-(6-chloronaphthalen-2-yl)-N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]tetrazole-5-carboxamide
SMILESCN1CCN=C1c1ccc(NC(=O)c2nnnn2-c2ccc3cc(Cl)ccc3c2)c(F)c1
InChIInChI=1S/C22H17ClFN7O/c1-30-9-8-25-20(30)15-4-7-19(18(24)12-15)26-22(32)21-27-28-29-31(21)17-6-3-13-10-16(23)5-2-14(13)11-17/h2-7,10-12H,8-9H2,1H3,(H,26,32)
InChIKeyGBDXFRGPUGGDMZ-UHFFFAOYSA-N
XLogP3.55
TPSA88.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.88
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloronaphthalen-2-yl)-N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]tetrazole-5-carboxamide?
The IUPAC name of 1-(6-chloronaphthalen-2-yl)-N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]tetrazole-5-carboxamide (CID 21366475) is 1-(6-chloronaphthalen-2-yl)-N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]tetrazole-5-carboxamide.
What is the SMILES notation for 1-(6-chloronaphthalen-2-yl)-N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]tetrazole-5-carboxamide?
The canonical SMILES for 1-(6-chloronaphthalen-2-yl)-N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]tetrazole-5-carboxamide is CN1CCN=C1c1ccc(NC(=O)c2nnnn2-c2ccc3cc(Cl)ccc3c2)c(F)c1.
What is the InChIKey of 1-(6-chloronaphthalen-2-yl)-N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]tetrazole-5-carboxamide?
The InChIKey is GBDXFRGPUGGDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClFN7O/c1-30-9-8-25-20(30)15-4-7-19(18(24)12-15)26-22(32)21-27-28-29-31(21)17-6-3-13-10-16(23)5-2-14(13)11-17/h2-7,10-12H,8-9H2,1H3,(H,26,32).
What are the key properties of 1-(6-chloronaphthalen-2-yl)-N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]tetrazole-5-carboxamide?
1-(6-chloronaphthalen-2-yl)-N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]tetrazole-5-carboxamide has a molecular weight of 449.88 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloronaphthalen-2-yl)-N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]tetrazole-5-carboxamide is sourced from PubChem (CID 21366475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).