4-cyano-N-[(4S)-2-(4-cyanophenyl)-3-methyl-5,5-bis(trifluoromethyl)-4H-imidazol-4-yl]-N-methylbenzamide

C22H15F6N5O — CID 10624515

IUPAC4-cyano-N-[(4S)-2-(4-cyanophenyl)-3-methyl-5,5-bis(trifluoromethyl)-4H-imidazol-4-yl]-N-methylbenzamide
SMILESCN(C(=O)c1ccc(C#N)cc1)[C@@H]1N(C)C(c2ccc(C#N)cc2)=NC1(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C22H15F6N5O/c1-32-17(15-7-3-13(11-29)4-8-15)31-20(21(23,24)25,22(26,27)28)19(32)33(2)18(34)16-9-5-14(12-30)6-10-16/h3-10,19H,1-2H3/t19-/m0/s1
InChIKeyJRGQCZQWAUXDPB-IBGZPJMESA-N
MW479.38 g/mol
LogP4.08
Rot. Bonds3

About 4-cyano-N-[(4S)-2-(4-cyanophenyl)-3-methyl-5,5-bis(trifluoromethyl)-4H-imidazol-4-yl]-N-methylbenzamide

4-cyano-N-[(4S)-2-(4-cyanophenyl)-3-methyl-5,5-bis(trifluoromethyl)-4H-imidazol-4-yl]-N-methylbenzamide (PubChem CID 10624515) has the molecular formula C22H15F6N5O and a molecular weight of 479.38 g/mol. Its IUPAC name is 4-cyano-N-[(4S)-2-(4-cyanophenyl)-3-methyl-5,5-bis(trifluoromethyl)-4H-imidazol-4-yl]-N-methylbenzamide.

Molecular Properties

Compound Name4-cyano-N-[(4S)-2-(4-cyanophenyl)-3-methyl-5,5-bis(trifluoromethyl)-4H-imidazol-4-yl]-N-methylbenzamide
PubChem CID10624515
Molecular FormulaC22H15F6N5O
Molecular Weight479.38 g/mol
Exact Mass479.12
IUPAC Name4-cyano-N-[(4S)-2-(4-cyanophenyl)-3-methyl-5,5-bis(trifluoromethyl)-4H-imidazol-4-yl]-N-methylbenzamide
SMILESCN(C(=O)c1ccc(C#N)cc1)[C@@H]1N(C)C(c2ccc(C#N)cc2)=NC1(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C22H15F6N5O/c1-32-17(15-7-3-13(11-29)4-8-15)31-20(21(23,24)25,22(26,27)28)19(32)33(2)18(34)16-9-5-14(12-30)6-10-16/h3-10,19H,1-2H3/t19-/m0/s1
InChIKeyJRGQCZQWAUXDPB-IBGZPJMESA-N
XLogP4.08
TPSA83.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.38
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[(4S)-2-(4-cyanophenyl)-3-methyl-5,5-bis(trifluoromethyl)-4H-imidazol-4-yl]-N-methylbenzamide?
The IUPAC name of 4-cyano-N-[(4S)-2-(4-cyanophenyl)-3-methyl-5,5-bis(trifluoromethyl)-4H-imidazol-4-yl]-N-methylbenzamide (CID 10624515) is 4-cyano-N-[(4S)-2-(4-cyanophenyl)-3-methyl-5,5-bis(trifluoromethyl)-4H-imidazol-4-yl]-N-methylbenzamide.
What is the SMILES notation for 4-cyano-N-[(4S)-2-(4-cyanophenyl)-3-methyl-5,5-bis(trifluoromethyl)-4H-imidazol-4-yl]-N-methylbenzamide?
The canonical SMILES for 4-cyano-N-[(4S)-2-(4-cyanophenyl)-3-methyl-5,5-bis(trifluoromethyl)-4H-imidazol-4-yl]-N-methylbenzamide is CN(C(=O)c1ccc(C#N)cc1)[C@@H]1N(C)C(c2ccc(C#N)cc2)=NC1(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 4-cyano-N-[(4S)-2-(4-cyanophenyl)-3-methyl-5,5-bis(trifluoromethyl)-4H-imidazol-4-yl]-N-methylbenzamide?
The InChIKey is JRGQCZQWAUXDPB-IBGZPJMESA-N. The full InChI is InChI=1S/C22H15F6N5O/c1-32-17(15-7-3-13(11-29)4-8-15)31-20(21(23,24)25,22(26,27)28)19(32)33(2)18(34)16-9-5-14(12-30)6-10-16/h3-10,19H,1-2H3/t19-/m0/s1.
What are the key properties of 4-cyano-N-[(4S)-2-(4-cyanophenyl)-3-methyl-5,5-bis(trifluoromethyl)-4H-imidazol-4-yl]-N-methylbenzamide?
4-cyano-N-[(4S)-2-(4-cyanophenyl)-3-methyl-5,5-bis(trifluoromethyl)-4H-imidazol-4-yl]-N-methylbenzamide has a molecular weight of 479.38 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[(4S)-2-(4-cyanophenyl)-3-methyl-5,5-bis(trifluoromethyl)-4H-imidazol-4-yl]-N-methylbenzamide is sourced from PubChem (CID 10624515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).