3-methyl-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]imidazole-4-carboxamide

C25H18F3N5O — CID 44530854

IUPAC3-methyl-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]imidazole-4-carboxamide
SMILESCn1cncc1C(=O)Nc1cccc(-c2cccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c2)c1
InChIInChI=1S/C25H18F3N5O/c1-33-14-29-13-22(33)24(34)30-19-7-3-5-16(11-19)15-4-2-6-17(10-15)23-31-20-9-8-18(25(26,27)28)12-21(20)32-23/h2-14H,1H3,(H,30,34)(H,31,32)
InChIKeyGNOWZQZPZCPUTE-UHFFFAOYSA-N
MW461.45 g/mol
LogP5.90
Rot. Bonds4

About 3-methyl-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]imidazole-4-carboxamide

3-methyl-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]imidazole-4-carboxamide (PubChem CID 44530854) has the molecular formula C25H18F3N5O and a molecular weight of 461.45 g/mol. Its IUPAC name is 3-methyl-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]imidazole-4-carboxamide
PubChem CID44530854
Molecular FormulaC25H18F3N5O
Molecular Weight461.45 g/mol
Exact Mass461.15
IUPAC Name3-methyl-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]imidazole-4-carboxamide
SMILESCn1cncc1C(=O)Nc1cccc(-c2cccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c2)c1
InChIInChI=1S/C25H18F3N5O/c1-33-14-29-13-22(33)24(34)30-19-7-3-5-16(11-19)15-4-2-6-17(10-15)23-31-20-9-8-18(25(26,27)28)12-21(20)32-23/h2-14H,1H3,(H,30,34)(H,31,32)
InChIKeyGNOWZQZPZCPUTE-UHFFFAOYSA-N
XLogP5.90
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.45
LogP ≤ 55.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-methyl-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]imidazole-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

Ins018_055
CID 164938183
N-(2-(n-isopropyl-N-methylamino)-1h-benzo[d]imidazol-6-yl)-5-(4-fluorophenyl)pyrazine-2-carboxamide
CID 9887476
5-(4-fluorophenyl)-N-[2-[methyl(propan-2-yl)amino]-3H-benzimidazol-5-yl]pyrimidine-2-carboxamide
CID 10024175
1,3-dimethyl-5-[4-(3-methylphenyl)-2-(pyridin-3-yl)-1H-imidazol-5-yl]-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 22063896
1,3-diethyl-5-[4-(3-methylphenyl)-2-(pyridin-3-yl)-1H-imidazol-5-yl]-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 23581392
3-ethyl-1-[7-(3-fluoropyridin-2-yl)-5-(1-methyl-2-oxo-1,2-dihydropyridin-4-yl)-1H-1,3-benzodiazol-2-yl]urea
CID 24971307
Psb-KD107
CID 44437220
8-(1~{H}-benzimidazol-2-ylmethyl)-3-ethyl-7-(phenylmethyl)purine-2,6-dione
CID 134262452
1-[7-(1H-benzimidazol-2-yl)-4-fluoro-1H-indol-3-yl]-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione
CID 507883
3,3,3-trifluoro-1-[4-[[2-[[6-(2-methyl-4-pyridinyl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]propan-1-one
CID 129245623
1-[4-[[2-[[6-[2-(dimethylamino)pyridin-4-yl]-1H-benzimidazol-2-yl]amino]pyridin-4-yl]methyl]piperazin-1-yl]-3,3,3-trifluoropropan-1-one
CID 137479140
5-N-(1H-benzimidazol-2-yl)-4-N-(2,4-dimethylphenyl)-1H-imidazole-4,5-dicarboxamide
CID 3110698

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]imidazole-4-carboxamide?
The IUPAC name of 3-methyl-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]imidazole-4-carboxamide (CID 44530854) is 3-methyl-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]imidazole-4-carboxamide.
What is the SMILES notation for 3-methyl-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]imidazole-4-carboxamide?
The canonical SMILES for 3-methyl-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]imidazole-4-carboxamide is Cn1cncc1C(=O)Nc1cccc(-c2cccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c2)c1.
What is the InChIKey of 3-methyl-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]imidazole-4-carboxamide?
The InChIKey is GNOWZQZPZCPUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F3N5O/c1-33-14-29-13-22(33)24(34)30-19-7-3-5-16(11-19)15-4-2-6-17(10-15)23-31-20-9-8-18(25(26,27)28)12-21(20)32-23/h2-14H,1H3,(H,30,34)(H,31,32).
What are the key properties of 3-methyl-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]imidazole-4-carboxamide?
3-methyl-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]imidazole-4-carboxamide has a molecular weight of 461.45 g/mol, XLogP of 5.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]imidazole-4-carboxamide is sourced from PubChem (CID 44530854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).