N-(3-methyl-5-phenylimidazol-4-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide

C22H18F3N5O — CID 118392812

IUPACN-(3-methyl-5-phenylimidazol-4-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
SMILESCn1ccc(-c2cc(C(=O)Nc3c(-c4ccccc4)ncn3C)ccc2C(F)(F)F)n1
InChIInChI=1S/C22H18F3N5O/c1-29-13-26-19(14-6-4-3-5-7-14)20(29)27-21(31)15-8-9-17(22(23,24)25)16(12-15)18-10-11-30(2)28-18/h3-13H,1-2H3,(H,27,31)
InChIKeyIHVQSZANXCJVDN-UHFFFAOYSA-N
MW425.41 g/mol
LogP4.76
Rot. Bonds4

About N-(3-methyl-5-phenylimidazol-4-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide

N-(3-methyl-5-phenylimidazol-4-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide (PubChem CID 118392812) has the molecular formula C22H18F3N5O and a molecular weight of 425.41 g/mol. Its IUPAC name is N-(3-methyl-5-phenylimidazol-4-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(3-methyl-5-phenylimidazol-4-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
PubChem CID118392812
Molecular FormulaC22H18F3N5O
Molecular Weight425.41 g/mol
Exact Mass425.15
IUPAC NameN-(3-methyl-5-phenylimidazol-4-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
SMILESCn1ccc(-c2cc(C(=O)Nc3c(-c4ccccc4)ncn3C)ccc2C(F)(F)F)n1
InChIInChI=1S/C22H18F3N5O/c1-29-13-26-19(14-6-4-3-5-7-14)20(29)27-21(31)15-8-9-17(22(23,24)25)16(12-15)18-10-11-30(2)28-18/h3-13H,1-2H3,(H,27,31)
InChIKeyIHVQSZANXCJVDN-UHFFFAOYSA-N
XLogP4.76
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.41
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-5-phenylimidazol-4-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(3-methyl-5-phenylimidazol-4-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide (CID 118392812) is N-(3-methyl-5-phenylimidazol-4-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(3-methyl-5-phenylimidazol-4-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(3-methyl-5-phenylimidazol-4-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide is Cn1ccc(-c2cc(C(=O)Nc3c(-c4ccccc4)ncn3C)ccc2C(F)(F)F)n1.
What is the InChIKey of N-(3-methyl-5-phenylimidazol-4-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is IHVQSZANXCJVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N5O/c1-29-13-26-19(14-6-4-3-5-7-14)20(29)27-21(31)15-8-9-17(22(23,24)25)16(12-15)18-10-11-30(2)28-18/h3-13H,1-2H3,(H,27,31).
What are the key properties of N-(3-methyl-5-phenylimidazol-4-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
N-(3-methyl-5-phenylimidazol-4-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 425.41 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-5-phenylimidazol-4-yl)-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 118392812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).