N-[(2,4-difluorophenyl)methyl]-6-[(2-methoxyacetyl)amino]-3-methyl-2-pyridin-4-ylbenzimidazole-4-carboxamide

C24H21F2N5O3 — CID 42164948

IUPACN-[(2,4-difluorophenyl)methyl]-6-[(2-methoxyacetyl)amino]-3-methyl-2-pyridin-4-ylbenzimidazole-4-carboxamide
SMILESCOCC(=O)Nc1cc(C(=O)NCc2ccc(F)cc2F)c2c(c1)nc(-c1ccncc1)n2C
InChIInChI=1S/C24H21F2N5O3/c1-31-22-18(24(33)28-12-15-3-4-16(25)9-19(15)26)10-17(29-21(32)13-34-2)11-20(22)30-23(31)14-5-7-27-8-6-14/h3-11H,12-13H2,1-2H3,(H,28,33)(H,29,32)
InChIKeyOSYCVBQIIGSDAC-UHFFFAOYSA-N
MW465.46 g/mol
LogP3.43
Rot. Bonds7

About N-[(2,4-difluorophenyl)methyl]-6-[(2-methoxyacetyl)amino]-3-methyl-2-pyridin-4-ylbenzimidazole-4-carboxamide

N-[(2,4-difluorophenyl)methyl]-6-[(2-methoxyacetyl)amino]-3-methyl-2-pyridin-4-ylbenzimidazole-4-carboxamide (PubChem CID 42164948) has the molecular formula C24H21F2N5O3 and a molecular weight of 465.46 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-6-[(2-methoxyacetyl)amino]-3-methyl-2-pyridin-4-ylbenzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-6-[(2-methoxyacetyl)amino]-3-methyl-2-pyridin-4-ylbenzimidazole-4-carboxamide
PubChem CID42164948
Molecular FormulaC24H21F2N5O3
Molecular Weight465.46 g/mol
Exact Mass465.16
IUPAC NameN-[(2,4-difluorophenyl)methyl]-6-[(2-methoxyacetyl)amino]-3-methyl-2-pyridin-4-ylbenzimidazole-4-carboxamide
SMILESCOCC(=O)Nc1cc(C(=O)NCc2ccc(F)cc2F)c2c(c1)nc(-c1ccncc1)n2C
InChIInChI=1S/C24H21F2N5O3/c1-31-22-18(24(33)28-12-15-3-4-16(25)9-19(15)26)10-17(29-21(32)13-34-2)11-20(22)30-23(31)14-5-7-27-8-6-14/h3-11H,12-13H2,1-2H3,(H,28,33)(H,29,32)
InChIKeyOSYCVBQIIGSDAC-UHFFFAOYSA-N
XLogP3.43
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.46
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-butyl-6-[(2-methoxyacetyl)amino]-3-methyl-2-pyridin-4-ylbenzimidazole-4-carboxamide
CID 42405347
6-[(2-methoxyacetyl)amino]-N,3-dimethyl-2-pyridin-4-yl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]benzimidazole-4-carboxamide
CID 26279270
N-[(2,4-difluorophenyl)methyl]-3-fluoropyridine-4-carboxamide
CID 115645752
4-chloro-N-[(2,4-difluorophenyl)methyl]pyridine-3-carboxamide
CID 81226309
N-[(2,4-difluorophenyl)methyl]-2-(methylamino)pyridine-3-carboxamide
CID 62229094
2-[(2,4-difluorophenyl)methylamino]-N-(3-fluorophenyl)acetamide
CID 49464511
1-(3-chlorophenyl)-N-[(2,4-difluorophenyl)methyl]-5-pyridin-4-yltriazole-4-carboxamide
CID 53123619
2-[(2,4-difluorophenyl)methylamino]-N-(3-methoxypropyl)acetamide
CID 62228874
N-[(2,4-difluorophenyl)methyl]-5-fluoro-2-methoxypyridine-3-carboxamide
CID 171547542
N-[(2,4-difluorophenyl)methyl]-1-(3-ethylphenyl)-5-pyridin-4-yltriazole-4-carboxamide
CID 53123691
N-[(2,4-difluorophenyl)methyl]-2-(4-methoxyphenyl)acetamide
CID 110782201
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-6-[(2-methoxyacetyl)amino]-3-(2-phenylethyl)benzimidazole-4-carboxamide
CID 26276093

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-6-[(2-methoxyacetyl)amino]-3-methyl-2-pyridin-4-ylbenzimidazole-4-carboxamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-6-[(2-methoxyacetyl)amino]-3-methyl-2-pyridin-4-ylbenzimidazole-4-carboxamide (CID 42164948) is N-[(2,4-difluorophenyl)methyl]-6-[(2-methoxyacetyl)amino]-3-methyl-2-pyridin-4-ylbenzimidazole-4-carboxamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-6-[(2-methoxyacetyl)amino]-3-methyl-2-pyridin-4-ylbenzimidazole-4-carboxamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-6-[(2-methoxyacetyl)amino]-3-methyl-2-pyridin-4-ylbenzimidazole-4-carboxamide is COCC(=O)Nc1cc(C(=O)NCc2ccc(F)cc2F)c2c(c1)nc(-c1ccncc1)n2C.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-6-[(2-methoxyacetyl)amino]-3-methyl-2-pyridin-4-ylbenzimidazole-4-carboxamide?
The InChIKey is OSYCVBQIIGSDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N5O3/c1-31-22-18(24(33)28-12-15-3-4-16(25)9-19(15)26)10-17(29-21(32)13-34-2)11-20(22)30-23(31)14-5-7-27-8-6-14/h3-11H,12-13H2,1-2H3,(H,28,33)(H,29,32).
What are the key properties of N-[(2,4-difluorophenyl)methyl]-6-[(2-methoxyacetyl)amino]-3-methyl-2-pyridin-4-ylbenzimidazole-4-carboxamide?
N-[(2,4-difluorophenyl)methyl]-6-[(2-methoxyacetyl)amino]-3-methyl-2-pyridin-4-ylbenzimidazole-4-carboxamide has a molecular weight of 465.46 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-6-[(2-methoxyacetyl)amino]-3-methyl-2-pyridin-4-ylbenzimidazole-4-carboxamide is sourced from PubChem (CID 42164948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).