N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methyl-3-(2-pyridin-3-yl-1H-imidazol-5-yl)benzamide

C23H16ClF3N4O — CID 25154651

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-4-methyl-3-(2-pyridin-3-yl-1H-imidazol-5-yl)benzamide
SMILESCc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1-c1cnc(-c2cccnc2)[nH]1
InChIInChI=1S/C23H16ClF3N4O/c1-13-4-5-14(22(32)30-16-6-7-19(24)18(10-16)23(25,26)27)9-17(13)20-12-29-21(31-20)15-3-2-8-28-11-15/h2-12H,1H3,(H,29,31)(H,30,32)
InChIKeyDGWZVQOJYIINIB-UHFFFAOYSA-N
MW456.86 g/mol
LogP6.37
Rot. Bonds4

About N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methyl-3-(2-pyridin-3-yl-1H-imidazol-5-yl)benzamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methyl-3-(2-pyridin-3-yl-1H-imidazol-5-yl)benzamide (PubChem CID 25154651) has the molecular formula C23H16ClF3N4O and a molecular weight of 456.86 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methyl-3-(2-pyridin-3-yl-1H-imidazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-4-methyl-3-(2-pyridin-3-yl-1H-imidazol-5-yl)benzamide
PubChem CID25154651
Molecular FormulaC23H16ClF3N4O
Molecular Weight456.86 g/mol
Exact Mass456.10
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-4-methyl-3-(2-pyridin-3-yl-1H-imidazol-5-yl)benzamide
SMILESCc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1-c1cnc(-c2cccnc2)[nH]1
InChIInChI=1S/C23H16ClF3N4O/c1-13-4-5-14(22(32)30-16-6-7-19(24)18(10-16)23(25,26)27)9-17(13)20-12-29-21(31-20)15-3-2-8-28-11-15/h2-12H,1H3,(H,29,31)(H,30,32)
InChIKeyDGWZVQOJYIINIB-UHFFFAOYSA-N
XLogP6.37
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.86
LogP ≤ 56.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methyl-3-(2-pyridin-3-yl-1H-imidazol-5-yl)benzamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methyl-3-(2-pyridin-3-yl-1H-imidazol-5-yl)benzamide (CID 25154651) is N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methyl-3-(2-pyridin-3-yl-1H-imidazol-5-yl)benzamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methyl-3-(2-pyridin-3-yl-1H-imidazol-5-yl)benzamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methyl-3-(2-pyridin-3-yl-1H-imidazol-5-yl)benzamide is Cc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1-c1cnc(-c2cccnc2)[nH]1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methyl-3-(2-pyridin-3-yl-1H-imidazol-5-yl)benzamide?
The InChIKey is DGWZVQOJYIINIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClF3N4O/c1-13-4-5-14(22(32)30-16-6-7-19(24)18(10-16)23(25,26)27)9-17(13)20-12-29-21(31-20)15-3-2-8-28-11-15/h2-12H,1H3,(H,29,31)(H,30,32).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methyl-3-(2-pyridin-3-yl-1H-imidazol-5-yl)benzamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methyl-3-(2-pyridin-3-yl-1H-imidazol-5-yl)benzamide has a molecular weight of 456.86 g/mol, XLogP of 6.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methyl-3-(2-pyridin-3-yl-1H-imidazol-5-yl)benzamide is sourced from PubChem (CID 25154651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).