N-[[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylpyridine-2-carboxamide

C22H18ClFN4O — CID 16966849

IUPACN-[[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylpyridine-2-carboxamide
SMILESCN(Cc1nc2ccccc2n1Cc1c(F)cccc1Cl)C(=O)c1ccccn1
InChIInChI=1S/C22H18ClFN4O/c1-27(22(29)19-10-4-5-12-25-19)14-21-26-18-9-2-3-11-20(18)28(21)13-15-16(23)7-6-8-17(15)24/h2-12H,13-14H2,1H3
InChIKeyZBVGRTGRQIXISM-UHFFFAOYSA-N
MW408.86 g/mol
LogP4.54
Rot. Bonds5

About N-[[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylpyridine-2-carboxamide

N-[[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylpyridine-2-carboxamide (PubChem CID 16966849) has the molecular formula C22H18ClFN4O and a molecular weight of 408.86 g/mol. Its IUPAC name is N-[[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylpyridine-2-carboxamide
PubChem CID16966849
Molecular FormulaC22H18ClFN4O
Molecular Weight408.86 g/mol
Exact Mass408.12
IUPAC NameN-[[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylpyridine-2-carboxamide
SMILESCN(Cc1nc2ccccc2n1Cc1c(F)cccc1Cl)C(=O)c1ccccn1
InChIInChI=1S/C22H18ClFN4O/c1-27(22(29)19-10-4-5-12-25-19)14-21-26-18-9-2-3-11-20(18)28(21)13-15-16(23)7-6-8-17(15)24/h2-12H,13-14H2,1H3
InChIKeyZBVGRTGRQIXISM-UHFFFAOYSA-N
XLogP4.54
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.86
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide
CID 16966843
N-methyl-N-[(1-pentylbenzimidazol-2-yl)methyl]pyridine-2-carboxamide
CID 16966831
N-methyl-N-[[1-(2-phenylethyl)benzimidazol-2-yl]methyl]pyridine-2-carboxamide
CID 16966866
N-methyl-N-[(1-octadecylbenzimidazol-2-yl)methyl]pyridine-2-carboxamide
CID 16966840
N-methyl-N-[[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide
CID 16966959
2-chloro-N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976055
N-methyl-N-[[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide
CID 16966869
N-[[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-2-fluorobenzamide
CID 17007754
1-[(2-chloro-6-fluorophenyl)methyl]-2-(methoxymethyl)benzimidazole
CID 718215
N-[5-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]pentyl]-2-methylpropanamide
CID 16988648
N-[[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]-N-methylpyridine-2-carboxamide
CID 16966944
3-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]propan-1-ol
CID 2947354

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylpyridine-2-carboxamide?
The IUPAC name of N-[[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylpyridine-2-carboxamide (CID 16966849) is N-[[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for N-[[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylpyridine-2-carboxamide is CN(Cc1nc2ccccc2n1Cc1c(F)cccc1Cl)C(=O)c1ccccn1.
What is the InChIKey of N-[[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylpyridine-2-carboxamide?
The InChIKey is ZBVGRTGRQIXISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN4O/c1-27(22(29)19-10-4-5-12-25-19)14-21-26-18-9-2-3-11-20(18)28(21)13-15-16(23)7-6-8-17(15)24/h2-12H,13-14H2,1H3.
What are the key properties of N-[[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylpyridine-2-carboxamide?
N-[[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylpyridine-2-carboxamide has a molecular weight of 408.86 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]methyl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 16966849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).