N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1-(3-fluoronaphthalen-2-yl)tetrazole-5-carboxamide

C22H17F2N7O — CID 20595245

IUPACN-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1-(3-fluoronaphthalen-2-yl)tetrazole-5-carboxamide
SMILESCN1CCN=C1c1ccc(NC(=O)c2nnnn2-c2cc3ccccc3cc2F)c(F)c1
InChIInChI=1S/C22H17F2N7O/c1-30-9-8-25-20(30)15-6-7-18(16(23)11-15)26-22(32)21-27-28-29-31(21)19-12-14-5-3-2-4-13(14)10-17(19)24/h2-7,10-12H,8-9H2,1H3,(H,26,32)
InChIKeyFBHMZKMWVJUMTC-UHFFFAOYSA-N
MW433.42 g/mol
LogP3.04
Rot. Bonds4

About N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1-(3-fluoronaphthalen-2-yl)tetrazole-5-carboxamide

N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1-(3-fluoronaphthalen-2-yl)tetrazole-5-carboxamide (PubChem CID 20595245) has the molecular formula C22H17F2N7O and a molecular weight of 433.42 g/mol. Its IUPAC name is N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1-(3-fluoronaphthalen-2-yl)tetrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1-(3-fluoronaphthalen-2-yl)tetrazole-5-carboxamide
PubChem CID20595245
Molecular FormulaC22H17F2N7O
Molecular Weight433.42 g/mol
Exact Mass433.15
IUPAC NameN-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1-(3-fluoronaphthalen-2-yl)tetrazole-5-carboxamide
SMILESCN1CCN=C1c1ccc(NC(=O)c2nnnn2-c2cc3ccccc3cc2F)c(F)c1
InChIInChI=1S/C22H17F2N7O/c1-30-9-8-25-20(30)15-6-7-18(16(23)11-15)26-22(32)21-27-28-29-31(21)19-12-14-5-3-2-4-13(14)10-17(19)24/h2-7,10-12H,8-9H2,1H3,(H,26,32)
InChIKeyFBHMZKMWVJUMTC-UHFFFAOYSA-N
XLogP3.04
TPSA88.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.42
LogP ≤ 53.04
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-(3-fluoronaphthalen-2-yl)tetrazole-5-carboxamide?
The IUPAC name of N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1-(3-fluoronaphthalen-2-yl)tetrazole-5-carboxamide (CID 20595245) is N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1-(3-fluoronaphthalen-2-yl)tetrazole-5-carboxamide.
What is the SMILES notation for N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1-(3-fluoronaphthalen-2-yl)tetrazole-5-carboxamide?
The canonical SMILES for N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1-(3-fluoronaphthalen-2-yl)tetrazole-5-carboxamide is CN1CCN=C1c1ccc(NC(=O)c2nnnn2-c2cc3ccccc3cc2F)c(F)c1.
What is the InChIKey of N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1-(3-fluoronaphthalen-2-yl)tetrazole-5-carboxamide?
The InChIKey is FBHMZKMWVJUMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2N7O/c1-30-9-8-25-20(30)15-6-7-18(16(23)11-15)26-22(32)21-27-28-29-31(21)19-12-14-5-3-2-4-13(14)10-17(19)24/h2-7,10-12H,8-9H2,1H3,(H,26,32).
What are the key properties of N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1-(3-fluoronaphthalen-2-yl)tetrazole-5-carboxamide?
N-[2-fluoro-4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1-(3-fluoronaphthalen-2-yl)tetrazole-5-carboxamide has a molecular weight of 433.42 g/mol, XLogP of 3.04, 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-(3-fluoronaphthalen-2-yl)tetrazole-5-carboxamide is sourced from PubChem (CID 20595245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).