N-(4-chlorophenyl)-3-ethyl-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide

C24H18ClF4N3O2 — CID 164940318

IUPACN-(4-chlorophenyl)-3-ethyl-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide
SMILESCCn1c(C(O)(c2ccc(F)cc2)C(F)(F)F)nc2ccc(C(=O)Nc3ccc(Cl)cc3)cc21
InChIInChI=1S/C24H18ClF4N3O2/c1-2-32-20-13-14(21(33)30-18-10-6-16(25)7-11-18)3-12-19(20)31-22(32)23(34,24(27,28)29)15-4-8-17(26)9-5-15/h3-13,34H,2H2,1H3,(H,30,33)
InChIKeyQMTMFUNLHIKMCU-UHFFFAOYSA-N
MW491.87 g/mol
LogP5.90
Rot. Bonds5

About N-(4-chlorophenyl)-3-ethyl-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide

N-(4-chlorophenyl)-3-ethyl-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide (PubChem CID 164940318) has the molecular formula C24H18ClF4N3O2 and a molecular weight of 491.87 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-ethyl-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-ethyl-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide
PubChem CID164940318
Molecular FormulaC24H18ClF4N3O2
Molecular Weight491.87 g/mol
Exact Mass491.10
IUPAC NameN-(4-chlorophenyl)-3-ethyl-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide
SMILESCCn1c(C(O)(c2ccc(F)cc2)C(F)(F)F)nc2ccc(C(=O)Nc3ccc(Cl)cc3)cc21
InChIInChI=1S/C24H18ClF4N3O2/c1-2-32-20-13-14(21(33)30-18-10-6-16(25)7-11-18)3-12-19(20)31-22(32)23(34,24(27,28)29)15-4-8-17(26)9-5-15/h3-13,34H,2H2,1H3,(H,30,33)
InChIKeyQMTMFUNLHIKMCU-UHFFFAOYSA-N
XLogP5.90
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.87
LogP ≤ 55.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-chlorophenyl)-3-ethyl-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide 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

1-ethyl-6-methylbenzimidazole;1-(1-ethyl-6-methylbenzimidazol-2-yl)-2,2,2-trifluoro-1-(4-fluorophenyl)ethanol;2,2,2-trifluoro-1-(4-fluorophenyl)ethanone
CID 167617368
N-[1-ethyl-5-(trifluoromethyl)benzimidazol-2-yl]-4-fluorobenzamide
CID 90719945
3-(4-fluorophenyl)-N-[4-[(1-hydroxy-2-methylpropan-2-yl)carbamoyl]phenyl]-2-methylbenzimidazole-5-carboxamide
CID 143868930
N-(4-fluorophenyl)-3-methylbenzimidazole-5-carboxamide
CID 110469160
2-[(4-chlorophenyl)methyl]-3-[(4-fluorophenyl)methyl]benzimidazole-5-carboxylic acid
CID 10644374
N-[4-(trifluoromethyl)phenyl]-2H-benzotriazole-5-carboxamide
CID 29406369
5-ethyl-N-(4-fluorophenyl)-4-oxopyrazolo[1,5-a]quinoxaline-7-carboxamide
CID 53186590
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-4-[(4-fluorobenzoyl)amino]benzamide
CID 86809567
3-ethyl-N-[(2S)-3-fluoro-2-hydroxypropyl]-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide
CID 126726534
N-(2-acetamidoethyl)-3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide
CID 118515855
N-(1-ethyl-6-oxo-3-pyridinyl)-4-fluorobenzamide
CID 47254966
3-ethyl-N-[(2R)-4-fluoro-2-hydroxy-4-methylpentyl]-2-[hydroxy(diphenyl)methyl]benzimidazole-5-carboxamide
CID 135290976

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-ethyl-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-3-ethyl-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide (CID 164940318) is N-(4-chlorophenyl)-3-ethyl-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-ethyl-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-3-ethyl-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide is CCn1c(C(O)(c2ccc(F)cc2)C(F)(F)F)nc2ccc(C(=O)Nc3ccc(Cl)cc3)cc21.
What is the InChIKey of N-(4-chlorophenyl)-3-ethyl-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide?
The InChIKey is QMTMFUNLHIKMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClF4N3O2/c1-2-32-20-13-14(21(33)30-18-10-6-16(25)7-11-18)3-12-19(20)31-22(32)23(34,24(27,28)29)15-4-8-17(26)9-5-15/h3-13,34H,2H2,1H3,(H,30,33).
What are the key properties of N-(4-chlorophenyl)-3-ethyl-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide?
N-(4-chlorophenyl)-3-ethyl-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide has a molecular weight of 491.87 g/mol, XLogP of 5.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-ethyl-2-[2,2,2-trifluoro-1-(4-fluorophenyl)-1-hydroxyethyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 164940318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).