2-[5-[5-chloro-2-[(dimethylamino)methyl]phenyl]-1-(3-chloro-2-fluorophenyl)-2-phenylimidazol-4-yl]benzamide

C31H25Cl2FN4O — CID 174651857

IUPAC2-[5-[5-chloro-2-[(dimethylamino)methyl]phenyl]-1-(3-chloro-2-fluorophenyl)-2-phenylimidazol-4-yl]benzamide
SMILESCN(C)Cc1ccc(Cl)cc1-c1c(-c2ccccc2C(N)=O)nc(-c2ccccc2)n1-c1cccc(Cl)c1F
InChIInChI=1S/C31H25Cl2FN4O/c1-37(2)18-20-15-16-21(32)17-24(20)29-28(22-11-6-7-12-23(22)30(35)39)36-31(19-9-4-3-5-10-19)38(29)26-14-8-13-25(33)27(26)34/h3-17H,18H2,1-2H3,(H2,35,39)
InChIKeyNYQAJUDWFUQPEN-UHFFFAOYSA-N
MW559.47 g/mol
LogP7.48
Rot. Bonds7

About 2-[5-[5-chloro-2-[(dimethylamino)methyl]phenyl]-1-(3-chloro-2-fluorophenyl)-2-phenylimidazol-4-yl]benzamide

2-[5-[5-chloro-2-[(dimethylamino)methyl]phenyl]-1-(3-chloro-2-fluorophenyl)-2-phenylimidazol-4-yl]benzamide (PubChem CID 174651857) has the molecular formula C31H25Cl2FN4O and a molecular weight of 559.47 g/mol. Its IUPAC name is 2-[5-[5-chloro-2-[(dimethylamino)methyl]phenyl]-1-(3-chloro-2-fluorophenyl)-2-phenylimidazol-4-yl]benzamide.

Molecular Properties

Compound Name2-[5-[5-chloro-2-[(dimethylamino)methyl]phenyl]-1-(3-chloro-2-fluorophenyl)-2-phenylimidazol-4-yl]benzamide
PubChem CID174651857
Molecular FormulaC31H25Cl2FN4O
Molecular Weight559.47 g/mol
Exact Mass558.14
IUPAC Name2-[5-[5-chloro-2-[(dimethylamino)methyl]phenyl]-1-(3-chloro-2-fluorophenyl)-2-phenylimidazol-4-yl]benzamide
SMILESCN(C)Cc1ccc(Cl)cc1-c1c(-c2ccccc2C(N)=O)nc(-c2ccccc2)n1-c1cccc(Cl)c1F
InChIInChI=1S/C31H25Cl2FN4O/c1-37(2)18-20-15-16-21(32)17-24(20)29-28(22-11-6-7-12-23(22)30(35)39)36-31(19-9-4-3-5-10-19)38(29)26-14-8-13-25(33)27(26)34/h3-17H,18H2,1-2H3,(H2,35,39)
InChIKeyNYQAJUDWFUQPEN-UHFFFAOYSA-N
XLogP7.48
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.47
LogP ≤ 57.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[5-chloro-2-[(dimethylamino)methyl]phenyl]-1-(3-chloro-2-fluorophenyl)-2-cyclohexylimidazole-4-carboxylic acid
CID 67031816
2-[1-(3-chloro-2-fluorophenyl)-5-(5-chloro-2-methoxyphenyl)-2-phenylimidazol-4-yl]acetic acid
CID 67954133
5-(3-chloro-2-fluorophenyl)-1-(5-chloro-2-methylphenyl)-2-(3-methylphenyl)imidazole-4-carboxylic acid
CID 67954123
2-[1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-2-cyclohexylimidazol-4-yl]-6-methylbenzamide
CID 175273459
1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-2-(2,2-dimethylpropyl)imidazole-4-carboxamide
CID 67031858
ethyl 1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-2-pyrrolidin-2-ylimidazole-4-carboxylate
CID 67954347
3-[1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-2-phenylimidazol-4-yl]-4-methyl-1,5-dihydro-1,2,4-triazole-5-carbothialdehyde
CID 174663372
1-[4-chloro-2-(2-chlorobenzoyl)phenyl]-5-[(dimethylamino)methyl]-1,2,4-triazole-3-carboxamide
CID 12831738
3-(3-chloro-2-fluorophenyl)-2-methylbenzimidazole-4-carboxylic acid
CID 115932667
1-(3-chloro-2-fluorophenyl)-2-methylbenzimidazole-4-carboxylic acid
CID 115542746
1-(3-chloro-4-fluorophenyl)-5-(3-chlorophenyl)-2-phenylimidazole-4-carboxylic acid
CID 67035838
5-(3-chloro-4-fluorophenyl)-1-(5-chloro-2-fluorophenyl)-2-(2-methylphenyl)imidazole-4-carboxylic acid
CID 174651933

Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-chloro-2-[(dimethylamino)methyl]phenyl]-1-(3-chloro-2-fluorophenyl)-2-phenylimidazol-4-yl]benzamide?
The IUPAC name of 2-[5-[5-chloro-2-[(dimethylamino)methyl]phenyl]-1-(3-chloro-2-fluorophenyl)-2-phenylimidazol-4-yl]benzamide (CID 174651857) is 2-[5-[5-chloro-2-[(dimethylamino)methyl]phenyl]-1-(3-chloro-2-fluorophenyl)-2-phenylimidazol-4-yl]benzamide.
What is the SMILES notation for 2-[5-[5-chloro-2-[(dimethylamino)methyl]phenyl]-1-(3-chloro-2-fluorophenyl)-2-phenylimidazol-4-yl]benzamide?
The canonical SMILES for 2-[5-[5-chloro-2-[(dimethylamino)methyl]phenyl]-1-(3-chloro-2-fluorophenyl)-2-phenylimidazol-4-yl]benzamide is CN(C)Cc1ccc(Cl)cc1-c1c(-c2ccccc2C(N)=O)nc(-c2ccccc2)n1-c1cccc(Cl)c1F.
What is the InChIKey of 2-[5-[5-chloro-2-[(dimethylamino)methyl]phenyl]-1-(3-chloro-2-fluorophenyl)-2-phenylimidazol-4-yl]benzamide?
The InChIKey is NYQAJUDWFUQPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25Cl2FN4O/c1-37(2)18-20-15-16-21(32)17-24(20)29-28(22-11-6-7-12-23(22)30(35)39)36-31(19-9-4-3-5-10-19)38(29)26-14-8-13-25(33)27(26)34/h3-17H,18H2,1-2H3,(H2,35,39).
What are the key properties of 2-[5-[5-chloro-2-[(dimethylamino)methyl]phenyl]-1-(3-chloro-2-fluorophenyl)-2-phenylimidazol-4-yl]benzamide?
2-[5-[5-chloro-2-[(dimethylamino)methyl]phenyl]-1-(3-chloro-2-fluorophenyl)-2-phenylimidazol-4-yl]benzamide has a molecular weight of 559.47 g/mol, XLogP of 7.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[5-chloro-2-[(dimethylamino)methyl]phenyl]-1-(3-chloro-2-fluorophenyl)-2-phenylimidazol-4-yl]benzamide is sourced from PubChem (CID 174651857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).