1-benzyl-N-[3-oxo-4-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]butyl]benzimidazole-2-carboxamide

C24H21F3N6O2 — CID 162600271

IUPAC1-benzyl-N-[3-oxo-4-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]butyl]benzimidazole-2-carboxamide
SMILESO=C(CCNC(=O)c1nc2ccccc2n1Cc1ccccc1)CNc1ncc(C(F)(F)F)cn1
InChIInChI=1S/C24H21F3N6O2/c25-24(26,27)17-12-29-23(30-13-17)31-14-18(34)10-11-28-22(35)21-32-19-8-4-5-9-20(19)33(21)15-16-6-2-1-3-7-16/h1-9,12-13H,10-11,14-15H2,(H,28,35)(H,29,30,31)
InChIKeyHYVSVQOGAMDCIR-UHFFFAOYSA-N
MW482.47 g/mol
LogP3.69
Rot. Bonds9

About 1-benzyl-N-[3-oxo-4-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]butyl]benzimidazole-2-carboxamide

1-benzyl-N-[3-oxo-4-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]butyl]benzimidazole-2-carboxamide (PubChem CID 162600271) has the molecular formula C24H21F3N6O2 and a molecular weight of 482.47 g/mol. Its IUPAC name is 1-benzyl-N-[3-oxo-4-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]butyl]benzimidazole-2-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[3-oxo-4-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]butyl]benzimidazole-2-carboxamide
PubChem CID162600271
Molecular FormulaC24H21F3N6O2
Molecular Weight482.47 g/mol
Exact Mass482.17
IUPAC Name1-benzyl-N-[3-oxo-4-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]butyl]benzimidazole-2-carboxamide
SMILESO=C(CCNC(=O)c1nc2ccccc2n1Cc1ccccc1)CNc1ncc(C(F)(F)F)cn1
InChIInChI=1S/C24H21F3N6O2/c25-24(26,27)17-12-29-23(30-13-17)31-14-18(34)10-11-28-22(35)21-32-19-8-4-5-9-20(19)33(21)15-16-6-2-1-3-7-16/h1-9,12-13H,10-11,14-15H2,(H,28,35)(H,29,30,31)
InChIKeyHYVSVQOGAMDCIR-UHFFFAOYSA-N
XLogP3.69
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.47
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-benzyl-N-[3-oxo-4-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]butyl]benzimidazole-2-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

(E)-1,2-bis(1-benzylbenzimidazol-2-yl)ethene-1,2-diol
CID 3113691
3-[[(1-benzylbenzimidazol-2-yl)-hydroxymethyl]amino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 143645271
1-benzyl-2-(1,2,2-trifluoroethenyl)benzimidazole
CID 25242148
N-[5-[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]pentyl]-2-phenylacetamide
CID 16993357
N-[2-[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]ethyl]pyridine-4-carboxamide
CID 16965888
N-(5-aminopentyl)-1-benzyl-5-(3,4-difluorophenyl)benzimidazole-2-carboxamide
CID 142426166
3-(1-benzylbenzimidazol-2-yl)-N-(2-phenylethyl)benzamide
CID 90040181
N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]ethyl]furan-2-carboxamide
CID 53063111
N-[1-[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
CID 16968118
(E)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-3-phenylprop-2-en-1-one
CID 175670593
N-[2-[[4-[[2-(dimethylamino)ethylamino]methyl]phenyl]methylamino]-2-methylpropyl]-1-[(2-fluorophenyl)methyl]benzimidazole-2-carboxamide
CID 143645137
2-[(1-benzylbenzimidazol-2-yl)amino]ethanol
CID 2772581

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[3-oxo-4-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]butyl]benzimidazole-2-carboxamide?
The IUPAC name of 1-benzyl-N-[3-oxo-4-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]butyl]benzimidazole-2-carboxamide (CID 162600271) is 1-benzyl-N-[3-oxo-4-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]butyl]benzimidazole-2-carboxamide.
What is the SMILES notation for 1-benzyl-N-[3-oxo-4-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]butyl]benzimidazole-2-carboxamide?
The canonical SMILES for 1-benzyl-N-[3-oxo-4-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]butyl]benzimidazole-2-carboxamide is O=C(CCNC(=O)c1nc2ccccc2n1Cc1ccccc1)CNc1ncc(C(F)(F)F)cn1.
What is the InChIKey of 1-benzyl-N-[3-oxo-4-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]butyl]benzimidazole-2-carboxamide?
The InChIKey is HYVSVQOGAMDCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N6O2/c25-24(26,27)17-12-29-23(30-13-17)31-14-18(34)10-11-28-22(35)21-32-19-8-4-5-9-20(19)33(21)15-16-6-2-1-3-7-16/h1-9,12-13H,10-11,14-15H2,(H,28,35)(H,29,30,31).
What are the key properties of 1-benzyl-N-[3-oxo-4-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]butyl]benzimidazole-2-carboxamide?
1-benzyl-N-[3-oxo-4-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]butyl]benzimidazole-2-carboxamide has a molecular weight of 482.47 g/mol, XLogP of 3.69, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[3-oxo-4-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]butyl]benzimidazole-2-carboxamide is sourced from PubChem (CID 162600271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).