N-[2-[4-chloro-3-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]-5-methyl-1,2-oxazole-4-carboxamide

C19H12ClF3N4O2 — CID 152659989

IUPACN-[2-[4-chloro-3-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)Nc1ccc2nc(-c3ccc(Cl)c(C(F)(F)F)c3)[nH]c2c1
InChIInChI=1S/C19H12ClF3N4O2/c1-9-12(8-24-29-9)18(28)25-11-3-5-15-16(7-11)27-17(26-15)10-2-4-14(20)13(6-10)19(21,22)23/h2-8H,1H3,(H,25,28)(H,26,27)
InChIKeyZJIRNXZDZZJJET-UHFFFAOYSA-N
MW420.78 g/mol
LogP5.45
Rot. Bonds3

About N-[2-[4-chloro-3-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]-5-methyl-1,2-oxazole-4-carboxamide

N-[2-[4-chloro-3-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 152659989) has the molecular formula C19H12ClF3N4O2 and a molecular weight of 420.78 g/mol. Its IUPAC name is N-[2-[4-chloro-3-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[4-chloro-3-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID152659989
Molecular FormulaC19H12ClF3N4O2
Molecular Weight420.78 g/mol
Exact Mass420.06
IUPAC NameN-[2-[4-chloro-3-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)Nc1ccc2nc(-c3ccc(Cl)c(C(F)(F)F)c3)[nH]c2c1
InChIInChI=1S/C19H12ClF3N4O2/c1-9-12(8-24-29-9)18(28)25-11-3-5-15-16(7-11)27-17(26-15)10-2-4-14(20)13(6-10)19(21,22)23/h2-8H,1H3,(H,25,28)(H,26,27)
InChIKeyZJIRNXZDZZJJET-UHFFFAOYSA-N
XLogP5.45
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.78
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-[4-chloro-3-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]-5-methyl-1,2-oxazole-4-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

3,4-dichloro-N-[4-[6-[(3,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 10166808
N-(3-chloro-4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 64788102
5-(113C)methyl-N-[4-(trifluoromethyl)phenyl]-(4,5-13C2)1,2-oxazole-4-carboxamide
CID 10869480
N-[4-[(2,5-dichlorophenyl)sulfonylamino]-3-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 55864253
N-[4-chloro-3-(trifluoromethyl)phenyl]-5-(3,4-dichlorophenyl)-2-methylfuran-3-carboxamide
CID 18809202
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 110682635
N-[4-(6-benzamido-1H-benzimidazol-2-yl)phenyl]-2-chloro-4-methylbenzamide
CID 20695031
2-chloro-4-[(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoic acid
CID 19439718
N-[4-[(2-chloro-4-fluorophenyl)sulfonylamino]-3-(trifluoromethyl)phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 60588960
N-[4-chloro-3-(trifluoromethyl)phenyl]-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110863765
2,3,5,6-tetrafluoro-4-methyl-N-[4-[6-[(2,3,4,5,6-pentafluorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 20676770
4-chloro-N-[2-[4-(methylamino)phenyl]-3H-benzimidazol-5-yl]benzamide
CID 142812719

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-chloro-3-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[2-[4-chloro-3-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]-5-methyl-1,2-oxazole-4-carboxamide (CID 152659989) is N-[2-[4-chloro-3-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-[4-chloro-3-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[2-[4-chloro-3-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]-5-methyl-1,2-oxazole-4-carboxamide is Cc1oncc1C(=O)Nc1ccc2nc(-c3ccc(Cl)c(C(F)(F)F)c3)[nH]c2c1.
What is the InChIKey of N-[2-[4-chloro-3-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is ZJIRNXZDZZJJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClF3N4O2/c1-9-12(8-24-29-9)18(28)25-11-3-5-15-16(7-11)27-17(26-15)10-2-4-14(20)13(6-10)19(21,22)23/h2-8H,1H3,(H,25,28)(H,26,27).
What are the key properties of N-[2-[4-chloro-3-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]-5-methyl-1,2-oxazole-4-carboxamide?
N-[2-[4-chloro-3-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 420.78 g/mol, XLogP of 5.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-chloro-3-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 152659989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).