2-[4-(benzimidazol-1-yl)phenyl]-N-[4-[(1-ethylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide

C30H31F3N4O — CID 25065372

IUPAC2-[4-(benzimidazol-1-yl)phenyl]-N-[4-[(1-ethylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide
SMILESCCN1CCC(Cc2ccc(NC(=O)Cc3ccc(-n4cnc5ccccc54)cc3)cc2C(F)(F)F)CC1
InChIInChI=1S/C30H31F3N4O/c1-2-36-15-13-22(14-16-36)17-23-9-10-24(19-26(23)30(31,32)33)35-29(38)18-21-7-11-25(12-8-21)37-20-34-27-5-3-4-6-28(27)37/h3-12,19-20,22H,2,13-18H2,1H3,(H,35,38)
InChIKeyOCGMTONZKYPSOH-UHFFFAOYSA-N
MW520.60 g/mol
LogP6.50
Rot. Bonds7

About 2-[4-(benzimidazol-1-yl)phenyl]-N-[4-[(1-ethylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide

2-[4-(benzimidazol-1-yl)phenyl]-N-[4-[(1-ethylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide (PubChem CID 25065372) has the molecular formula C30H31F3N4O and a molecular weight of 520.60 g/mol. Its IUPAC name is 2-[4-(benzimidazol-1-yl)phenyl]-N-[4-[(1-ethylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(benzimidazol-1-yl)phenyl]-N-[4-[(1-ethylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide
PubChem CID25065372
Molecular FormulaC30H31F3N4O
Molecular Weight520.60 g/mol
Exact Mass520.24
IUPAC Name2-[4-(benzimidazol-1-yl)phenyl]-N-[4-[(1-ethylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide
SMILESCCN1CCC(Cc2ccc(NC(=O)Cc3ccc(-n4cnc5ccccc54)cc3)cc2C(F)(F)F)CC1
InChIInChI=1S/C30H31F3N4O/c1-2-36-15-13-22(14-16-36)17-23-9-10-24(19-26(23)30(31,32)33)35-29(38)18-21-7-11-25(12-8-21)37-20-34-27-5-3-4-6-28(27)37/h3-12,19-20,22H,2,13-18H2,1H3,(H,35,38)
InChIKeyOCGMTONZKYPSOH-UHFFFAOYSA-N
XLogP6.50
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.60
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(benzimidazol-1-yl)phenyl]-N-[4-[(1-ethylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(benzimidazol-1-yl)phenyl]-N-[4-(2-methyl-1-piperidin-4-ylpropyl)-3-(trifluoromethyl)phenyl]acetamide
CID 67315553
2-[4-(benzimidazol-1-yl)phenyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 67021639
2-[4-(benzimidazol-1-yl)phenyl]-N-[4-[3-(dimethylamino)propyl-methylamino]-3-(trifluoromethyl)phenyl]acetamide
CID 11993681
2-[4-(benzimidazol-1-yl)phenyl]-N-[3-[methyl-(1-methylpiperidin-4-yl)amino]-5-(trifluoromethyl)phenyl]acetamide
CID 25066424
N-[4-(benzimidazol-1-yl)phenyl]-2-(4-hydroxyphenyl)acetamide
CID 78840226
2-(2-chloro-4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide
CID 25065371
N-[4-(benzimidazol-1-yl)phenyl]butanamide
CID 17479709
N-[4-(benzimidazol-1-yl)phenyl]-2-(2-methylphenyl)acetamide
CID 41491570
N-[4-(diethylaminomethyl)-3-(trifluoromethyl)phenyl]-2-(4-imidazo[4,5-b]pyridin-3-yl-2-methylphenyl)acetamide
CID 67021612
ethane;N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2-(3-methylphenyl)acetamide
CID 144745028
N-[4-[3-(dimethylamino)prop-1-ynyl]-3-(trifluoromethyl)phenyl]-2-(4-imidazo[4,5-b]pyridin-3-ylphenyl)acetamide
CID 11993289
2-[4-(benzimidazol-1-yl)phenyl]-N-[3-(diethylaminomethyl)-5-(trifluoromethyl)phenyl]acetamide;2-(4-imidazo[4,5-b]pyridin-3-ylphenyl)-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide
CID 161266559

Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzimidazol-1-yl)phenyl]-N-[4-[(1-ethylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[4-(benzimidazol-1-yl)phenyl]-N-[4-[(1-ethylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide (CID 25065372) is 2-[4-(benzimidazol-1-yl)phenyl]-N-[4-[(1-ethylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(benzimidazol-1-yl)phenyl]-N-[4-[(1-ethylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-(benzimidazol-1-yl)phenyl]-N-[4-[(1-ethylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide is CCN1CCC(Cc2ccc(NC(=O)Cc3ccc(-n4cnc5ccccc54)cc3)cc2C(F)(F)F)CC1.
What is the InChIKey of 2-[4-(benzimidazol-1-yl)phenyl]-N-[4-[(1-ethylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is OCGMTONZKYPSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31F3N4O/c1-2-36-15-13-22(14-16-36)17-23-9-10-24(19-26(23)30(31,32)33)35-29(38)18-21-7-11-25(12-8-21)37-20-34-27-5-3-4-6-28(27)37/h3-12,19-20,22H,2,13-18H2,1H3,(H,35,38).
What are the key properties of 2-[4-(benzimidazol-1-yl)phenyl]-N-[4-[(1-ethylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide?
2-[4-(benzimidazol-1-yl)phenyl]-N-[4-[(1-ethylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 520.60 g/mol, XLogP of 6.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzimidazol-1-yl)phenyl]-N-[4-[(1-ethylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 25065372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).