2-(2,6-dichloroanilino)-6-fluoro-N-[(3-methoxy-2-pyridinyl)methyl]-1-methylbenzimidazole-5-carboxamide

C22H18Cl2FN5O2 — CID 58562175

IUPAC2-(2,6-dichloroanilino)-6-fluoro-N-[(3-methoxy-2-pyridinyl)methyl]-1-methylbenzimidazole-5-carboxamide
SMILESCOc1cccnc1CNC(=O)c1cc2nc(Nc3c(Cl)cccc3Cl)n(C)c2cc1F
InChIInChI=1S/C22H18Cl2FN5O2/c1-30-18-10-15(25)12(21(31)27-11-17-19(32-2)7-4-8-26-17)9-16(18)28-22(30)29-20-13(23)5-3-6-14(20)24/h3-10H,11H2,1-2H3,(H,27,31)(H,28,29)
InChIKeyOAIFIALVRNOUHX-UHFFFAOYSA-N
MW474.32 g/mol
LogP5.10
Rot. Bonds6

About 2-(2,6-dichloroanilino)-6-fluoro-N-[(3-methoxy-2-pyridinyl)methyl]-1-methylbenzimidazole-5-carboxamide

2-(2,6-dichloroanilino)-6-fluoro-N-[(3-methoxy-2-pyridinyl)methyl]-1-methylbenzimidazole-5-carboxamide (PubChem CID 58562175) has the molecular formula C22H18Cl2FN5O2 and a molecular weight of 474.32 g/mol. Its IUPAC name is 2-(2,6-dichloroanilino)-6-fluoro-N-[(3-methoxy-2-pyridinyl)methyl]-1-methylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(2,6-dichloroanilino)-6-fluoro-N-[(3-methoxy-2-pyridinyl)methyl]-1-methylbenzimidazole-5-carboxamide
PubChem CID58562175
Molecular FormulaC22H18Cl2FN5O2
Molecular Weight474.32 g/mol
Exact Mass473.08
IUPAC Name2-(2,6-dichloroanilino)-6-fluoro-N-[(3-methoxy-2-pyridinyl)methyl]-1-methylbenzimidazole-5-carboxamide
SMILESCOc1cccnc1CNC(=O)c1cc2nc(Nc3c(Cl)cccc3Cl)n(C)c2cc1F
InChIInChI=1S/C22H18Cl2FN5O2/c1-30-18-10-15(25)12(21(31)27-11-17-19(32-2)7-4-8-26-17)9-16(18)28-22(30)29-20-13(23)5-3-6-14(20)24/h3-10H,11H2,1-2H3,(H,27,31)(H,28,29)
InChIKeyOAIFIALVRNOUHX-UHFFFAOYSA-N
XLogP5.10
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.32
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,6-dichloroanilino)-6-fluoro-1-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzimidazole-5-carboxamide
CID 45137150
2-(2,6-dichloroanilino)-N-(4-ethylcyclohexyl)-6-fluoro-1-methylbenzimidazole-5-carboxamide
CID 58562120
2-(2,6-dichloroanilino)-6-fluoro-1-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzimidazole-5-carboxamide
CID 45137757
2-(2,6-dichloroanilino)-6-methoxy-1-methyl-N-[4-(trifluoromethyl)cyclohexyl]benzimidazole-5-carboxamide
CID 58562391
2-(2,6-dichloroanilino)-6-methoxy-N-[(3-methyl-2-pyridinyl)methyl]-3H-benzimidazole-5-carboxamide
CID 70897211
CID 88573287
CID 88573287
2-[6-chloro-3-[(2,2-dimethylpropanoylamino)methyl]-2-fluoroanilino]-6-(2,2-difluoroethoxy)-1-methyl-N-(2,2,2-trifluoroethyl)benzimidazole-5-carboxamide
CID 56839528
2-[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]anilino]-N-(3,3-difluorocyclobutyl)-6-fluoro-1-methylbenzimidazole-5-carboxamide
CID 56840615
4-bromo-N-[(2-chloro-6-methoxyphenyl)methyl]-2-fluorobenzamide
CID 103292678
N-[(2-chloro-6-methoxyphenyl)methyl]-2-fluoro-5-sulfanylbenzamide
CID 107037030
2-(2,6-dichloroanilino)-1-methylbenzimidazole-5-carboxylic acid;methyl 2-(2,6-dichloroanilino)-1-methylbenzimidazole-5-carboxylate
CID 162200376
2-[2,6-dichloro-3-[[(2,2-difluoroacetyl)amino]methyl]anilino]-6-(2,2-difluoroethoxy)-1-methyl-N-(2,2,2-trifluoroethyl)benzimidazole-5-carboxamide
CID 88573308

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichloroanilino)-6-fluoro-N-[(3-methoxy-2-pyridinyl)methyl]-1-methylbenzimidazole-5-carboxamide?
The IUPAC name of 2-(2,6-dichloroanilino)-6-fluoro-N-[(3-methoxy-2-pyridinyl)methyl]-1-methylbenzimidazole-5-carboxamide (CID 58562175) is 2-(2,6-dichloroanilino)-6-fluoro-N-[(3-methoxy-2-pyridinyl)methyl]-1-methylbenzimidazole-5-carboxamide.
What is the SMILES notation for 2-(2,6-dichloroanilino)-6-fluoro-N-[(3-methoxy-2-pyridinyl)methyl]-1-methylbenzimidazole-5-carboxamide?
The canonical SMILES for 2-(2,6-dichloroanilino)-6-fluoro-N-[(3-methoxy-2-pyridinyl)methyl]-1-methylbenzimidazole-5-carboxamide is COc1cccnc1CNC(=O)c1cc2nc(Nc3c(Cl)cccc3Cl)n(C)c2cc1F.
What is the InChIKey of 2-(2,6-dichloroanilino)-6-fluoro-N-[(3-methoxy-2-pyridinyl)methyl]-1-methylbenzimidazole-5-carboxamide?
The InChIKey is OAIFIALVRNOUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2FN5O2/c1-30-18-10-15(25)12(21(31)27-11-17-19(32-2)7-4-8-26-17)9-16(18)28-22(30)29-20-13(23)5-3-6-14(20)24/h3-10H,11H2,1-2H3,(H,27,31)(H,28,29).
What are the key properties of 2-(2,6-dichloroanilino)-6-fluoro-N-[(3-methoxy-2-pyridinyl)methyl]-1-methylbenzimidazole-5-carboxamide?
2-(2,6-dichloroanilino)-6-fluoro-N-[(3-methoxy-2-pyridinyl)methyl]-1-methylbenzimidazole-5-carboxamide has a molecular weight of 474.32 g/mol, XLogP of 5.10, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichloroanilino)-6-fluoro-N-[(3-methoxy-2-pyridinyl)methyl]-1-methylbenzimidazole-5-carboxamide is sourced from PubChem (CID 58562175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).