1-methyl-2-oxo-N-[[3-(pyrimidin-5-ylmethoxy)-4-(trifluoromethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide

C22H18F3N5O3 — CID 174335230

IUPAC1-methyl-2-oxo-N-[[3-(pyrimidin-5-ylmethoxy)-4-(trifluoromethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide
SMILESCn1c(=O)[nH]c2cc(C(=O)NCc3ccc(C(F)(F)F)c(OCc4cncnc4)c3)ccc21
InChIInChI=1S/C22H18F3N5O3/c1-30-18-5-3-15(7-17(18)29-21(30)32)20(31)28-10-13-2-4-16(22(23,24)25)19(6-13)33-11-14-8-26-12-27-9-14/h2-9,12H,10-11H2,1H3,(H,28,31)(H,29,32)
InChIKeyZAOUOZCWPGYCMW-UHFFFAOYSA-N
MW457.41 g/mol
LogP3.18
Rot. Bonds6

About 1-methyl-2-oxo-N-[[3-(pyrimidin-5-ylmethoxy)-4-(trifluoromethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide

1-methyl-2-oxo-N-[[3-(pyrimidin-5-ylmethoxy)-4-(trifluoromethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide (PubChem CID 174335230) has the molecular formula C22H18F3N5O3 and a molecular weight of 457.41 g/mol. Its IUPAC name is 1-methyl-2-oxo-N-[[3-(pyrimidin-5-ylmethoxy)-4-(trifluoromethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-2-oxo-N-[[3-(pyrimidin-5-ylmethoxy)-4-(trifluoromethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide
PubChem CID174335230
Molecular FormulaC22H18F3N5O3
Molecular Weight457.41 g/mol
Exact Mass457.14
IUPAC Name1-methyl-2-oxo-N-[[3-(pyrimidin-5-ylmethoxy)-4-(trifluoromethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide
SMILESCn1c(=O)[nH]c2cc(C(=O)NCc3ccc(C(F)(F)F)c(OCc4cncnc4)c3)ccc21
InChIInChI=1S/C22H18F3N5O3/c1-30-18-5-3-15(7-17(18)29-21(30)32)20(31)28-10-13-2-4-16(22(23,24)25)19(6-13)33-11-14-8-26-12-27-9-14/h2-9,12H,10-11H2,1H3,(H,28,31)(H,29,32)
InChIKeyZAOUOZCWPGYCMW-UHFFFAOYSA-N
XLogP3.18
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.41
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-methyl-2-oxo-N-[[3-(pyrimidin-5-ylmethoxy)-4-(trifluoromethyl)phenyl]methyl]-3H-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

N-[[3-[(4-amino-3-methanimidoylphenyl)methoxy]-4-(trifluoromethyl)phenyl]methyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 174333434
N-[[1-(2,6-difluorophenyl)benzimidazol-5-yl]methyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 171652065
N-[[6-[1-(4-fluorophenyl)ethyl]-3-pyridinyl]methyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 170765084
1-methyl-N-[[4-[methyl(propan-2-yl)amino]phenyl]methyl]-2-oxo-3H-benzimidazole-5-carboxamide
CID 174335696
[3-(pyrimidin-5-ylmethoxy)-4-(trifluoromethyl)phenyl]methanamine
CID 174335229
N-[[6-[(2-fluorophenyl)methyl-methylamino]-3-pyridinyl]methyl]-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 174274835
3-methyl-N-[2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]-2-oxo-1H-benzimidazole-5-carboxamide
CID 154805694
ethyl N-[(1-methyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]carbamate
CID 86844759
1-ethyl-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-2-oxo-3H-benzimidazole-5-carboxamide
CID 174271887
1-ethyl-2,3-dioxo-N-[[3-(trifluoromethyl)phenyl]methyl]-4H-quinoxaline-6-carboxamide
CID 24536906
3-ethoxy-4-(pyridin-3-ylmethoxy)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]benzamide
CID 30838230
3,4-dimethoxy-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzamide
CID 110721708

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-N-[[3-(pyrimidin-5-ylmethoxy)-4-(trifluoromethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 1-methyl-2-oxo-N-[[3-(pyrimidin-5-ylmethoxy)-4-(trifluoromethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide (CID 174335230) is 1-methyl-2-oxo-N-[[3-(pyrimidin-5-ylmethoxy)-4-(trifluoromethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 1-methyl-2-oxo-N-[[3-(pyrimidin-5-ylmethoxy)-4-(trifluoromethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 1-methyl-2-oxo-N-[[3-(pyrimidin-5-ylmethoxy)-4-(trifluoromethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide is Cn1c(=O)[nH]c2cc(C(=O)NCc3ccc(C(F)(F)F)c(OCc4cncnc4)c3)ccc21.
What is the InChIKey of 1-methyl-2-oxo-N-[[3-(pyrimidin-5-ylmethoxy)-4-(trifluoromethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is ZAOUOZCWPGYCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N5O3/c1-30-18-5-3-15(7-17(18)29-21(30)32)20(31)28-10-13-2-4-16(22(23,24)25)19(6-13)33-11-14-8-26-12-27-9-14/h2-9,12H,10-11H2,1H3,(H,28,31)(H,29,32).
What are the key properties of 1-methyl-2-oxo-N-[[3-(pyrimidin-5-ylmethoxy)-4-(trifluoromethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide?
1-methyl-2-oxo-N-[[3-(pyrimidin-5-ylmethoxy)-4-(trifluoromethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 457.41 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxo-N-[[3-(pyrimidin-5-ylmethoxy)-4-(trifluoromethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 174335230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).