6-oxo-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]-1-propylpyridazine-3-carboxamide

C23H20F3N5O2 — CID 55518967

IUPAC6-oxo-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)NC(c2ccccc2)c2ccc3nc(C(F)(F)F)[nH]c3c2)ccc1=O
InChIInChI=1S/C23H20F3N5O2/c1-2-12-31-19(32)11-10-17(30-31)21(33)29-20(14-6-4-3-5-7-14)15-8-9-16-18(13-15)28-22(27-16)23(24,25)26/h3-11,13,20H,2,12H2,1H3,(H,27,28)(H,29,33)
InChIKeyYPCSZJYGLPPVCG-UHFFFAOYSA-N
MW455.44 g/mol
LogP4.07
Rot. Bonds6

About 6-oxo-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]-1-propylpyridazine-3-carboxamide

6-oxo-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]-1-propylpyridazine-3-carboxamide (PubChem CID 55518967) has the molecular formula C23H20F3N5O2 and a molecular weight of 455.44 g/mol. Its IUPAC name is 6-oxo-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]-1-propylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]-1-propylpyridazine-3-carboxamide
PubChem CID55518967
Molecular FormulaC23H20F3N5O2
Molecular Weight455.44 g/mol
Exact Mass455.16
IUPAC Name6-oxo-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)NC(c2ccccc2)c2ccc3nc(C(F)(F)F)[nH]c3c2)ccc1=O
InChIInChI=1S/C23H20F3N5O2/c1-2-12-31-19(32)11-10-17(30-31)21(33)29-20(14-6-4-3-5-7-14)15-8-9-16-18(13-15)28-22(27-16)23(24,25)26/h3-11,13,20H,2,12H2,1H3,(H,27,28)(H,29,33)
InChIKeyYPCSZJYGLPPVCG-UHFFFAOYSA-N
XLogP4.07
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.44
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]-1-propylpyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]-1-propylpyridazine-3-carboxamide (CID 55518967) is 6-oxo-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]-1-propylpyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]-1-propylpyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]-1-propylpyridazine-3-carboxamide is CCCn1nc(C(=O)NC(c2ccccc2)c2ccc3nc(C(F)(F)F)[nH]c3c2)ccc1=O.
What is the InChIKey of 6-oxo-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]-1-propylpyridazine-3-carboxamide?
The InChIKey is YPCSZJYGLPPVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N5O2/c1-2-12-31-19(32)11-10-17(30-31)21(33)29-20(14-6-4-3-5-7-14)15-8-9-16-18(13-15)28-22(27-16)23(24,25)26/h3-11,13,20H,2,12H2,1H3,(H,27,28)(H,29,33).
What are the key properties of 6-oxo-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]-1-propylpyridazine-3-carboxamide?
6-oxo-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]-1-propylpyridazine-3-carboxamide has a molecular weight of 455.44 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[phenyl-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]-1-propylpyridazine-3-carboxamide is sourced from PubChem (CID 55518967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).