N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-yl-7-(2H-triazol-4-yl)benzimidazole-5-carboxamide

C20H17ClF2N6O2 — CID 146458612

IUPACN-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-yl-7-(2H-triazol-4-yl)benzimidazole-5-carboxamide
SMILESCC(C)n1cnc2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc(-c3cn[nH]n3)c21
InChIInChI=1S/C20H17ClF2N6O2/c1-11(2)29-10-24-16-8-12(7-15(18(16)29)17-9-25-28-27-17)19(30)26-13-3-5-14(6-4-13)31-20(21,22)23/h3-11H,1-2H3,(H,26,30)(H,25,27,28)
InChIKeyCHYYKDXOOPAFES-UHFFFAOYSA-N
MW446.85 g/mol
LogP4.82
Rot. Bonds6

About N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-yl-7-(2H-triazol-4-yl)benzimidazole-5-carboxamide

N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-yl-7-(2H-triazol-4-yl)benzimidazole-5-carboxamide (PubChem CID 146458612) has the molecular formula C20H17ClF2N6O2 and a molecular weight of 446.85 g/mol. Its IUPAC name is N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-yl-7-(2H-triazol-4-yl)benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-yl-7-(2H-triazol-4-yl)benzimidazole-5-carboxamide
PubChem CID146458612
Molecular FormulaC20H17ClF2N6O2
Molecular Weight446.85 g/mol
Exact Mass446.11
IUPAC NameN-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-yl-7-(2H-triazol-4-yl)benzimidazole-5-carboxamide
SMILESCC(C)n1cnc2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc(-c3cn[nH]n3)c21
InChIInChI=1S/C20H17ClF2N6O2/c1-11(2)29-10-24-16-8-12(7-15(18(16)29)17-9-25-28-27-17)19(30)26-13-3-5-14(6-4-13)31-20(21,22)23/h3-11H,1-2H3,(H,26,30)(H,25,27,28)
InChIKeyCHYYKDXOOPAFES-UHFFFAOYSA-N
XLogP4.82
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.85
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-yl-7-(2H-triazol-4-yl)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

Embibatinib
CID 146458745
N-Cycloheptyl-1-(4-methoxyphenyl)-1H-1,3-benzodiazole-5-carboxamide
CID 4287729
8-[4-(Difluoromethoxy)phenyl]-6-(3-methylbenzimidazol-5-yl)-2-(2,2,2-trifluoroethylamino)pyrido[2,3-d]pyrimidin-7-one
CID 156805212
N-[4-(difluoromethoxy)phenyl]-5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl)-1H-indazole-3-carboxamide
CID 139431508
4-methyl-3-[4-(3-methylimidazol-4-yl)triazol-1-yl]-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 146293968
3-[4-(3-methylimidazol-4-yl)triazol-1-yl]-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 146294020
3-[4-(3,5-dimethylimidazol-4-yl)triazol-1-yl]-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 146294021
N-[3-(difluoromethoxy)phenyl]-3-[4-(3-methylimidazol-4-yl)triazol-1-yl]benzamide
CID 146294025
US10889571, Example 40
CID 146458583
US10889571, Example 33
CID 146458585
US10889571, Example 2
CID 146458588
US10889571, Example 18
CID 146458624

Frequently Asked Questions

What is the IUPAC name of N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-yl-7-(2H-triazol-4-yl)benzimidazole-5-carboxamide?
The IUPAC name of N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-yl-7-(2H-triazol-4-yl)benzimidazole-5-carboxamide (CID 146458612) is N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-yl-7-(2H-triazol-4-yl)benzimidazole-5-carboxamide.
What is the SMILES notation for N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-yl-7-(2H-triazol-4-yl)benzimidazole-5-carboxamide?
The canonical SMILES for N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-yl-7-(2H-triazol-4-yl)benzimidazole-5-carboxamide is CC(C)n1cnc2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc(-c3cn[nH]n3)c21.
What is the InChIKey of N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-yl-7-(2H-triazol-4-yl)benzimidazole-5-carboxamide?
The InChIKey is CHYYKDXOOPAFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClF2N6O2/c1-11(2)29-10-24-16-8-12(7-15(18(16)29)17-9-25-28-27-17)19(30)26-13-3-5-14(6-4-13)31-20(21,22)23/h3-11H,1-2H3,(H,26,30)(H,25,27,28).
What are the key properties of N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-yl-7-(2H-triazol-4-yl)benzimidazole-5-carboxamide?
N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-yl-7-(2H-triazol-4-yl)benzimidazole-5-carboxamide has a molecular weight of 446.85 g/mol, XLogP of 4.82, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[chloro(difluoro)methoxy]phenyl]-1-propan-2-yl-7-(2H-triazol-4-yl)benzimidazole-5-carboxamide is sourced from PubChem (CID 146458612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).