[6-(2,4-difluoroanilino)-3-pyridinyl]-(6-methoxy-2-methyl-3H-benzimidazol-5-yl)methanone

C21H16F2N4O2 — CID 10111212

IUPAC[6-(2,4-difluoroanilino)-3-pyridinyl]-(6-methoxy-2-methyl-3H-benzimidazol-5-yl)methanone
SMILESCOc1cc2nc(C)[nH]c2cc1C(=O)c1ccc(Nc2ccc(F)cc2F)nc1
InChIInChI=1S/C21H16F2N4O2/c1-11-25-17-8-14(19(29-2)9-18(17)26-11)21(28)12-3-6-20(24-10-12)27-16-5-4-13(22)7-15(16)23/h3-10H,1-2H3,(H,24,27)(H,25,26)
InChIKeyBLCPCYACPKGWKW-UHFFFAOYSA-N
MW394.38 g/mol
LogP4.53
Rot. Bonds5

About [6-(2,4-difluoroanilino)-3-pyridinyl]-(6-methoxy-2-methyl-3H-benzimidazol-5-yl)methanone

[6-(2,4-difluoroanilino)-3-pyridinyl]-(6-methoxy-2-methyl-3H-benzimidazol-5-yl)methanone (PubChem CID 10111212) has the molecular formula C21H16F2N4O2 and a molecular weight of 394.38 g/mol. Its IUPAC name is [6-(2,4-difluoroanilino)-3-pyridinyl]-(6-methoxy-2-methyl-3H-benzimidazol-5-yl)methanone.

Molecular Properties

Compound Name[6-(2,4-difluoroanilino)-3-pyridinyl]-(6-methoxy-2-methyl-3H-benzimidazol-5-yl)methanone
PubChem CID10111212
Molecular FormulaC21H16F2N4O2
Molecular Weight394.38 g/mol
Exact Mass394.12
IUPAC Name[6-(2,4-difluoroanilino)-3-pyridinyl]-(6-methoxy-2-methyl-3H-benzimidazol-5-yl)methanone
SMILESCOc1cc2nc(C)[nH]c2cc1C(=O)c1ccc(Nc2ccc(F)cc2F)nc1
InChIInChI=1S/C21H16F2N4O2/c1-11-25-17-8-14(19(29-2)9-18(17)26-11)21(28)12-3-6-20(24-10-12)27-16-5-4-13(22)7-15(16)23/h3-10H,1-2H3,(H,24,27)(H,25,26)
InChIKeyBLCPCYACPKGWKW-UHFFFAOYSA-N
XLogP4.53
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.38
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Benzimidazole-urea, 50
CID 10120050
4-{[2-({3-[2-(dimethylamino)ethoxy]-4-(trifluoromethyl)phenyl}amino)-1H-1,3-benzodiazol-5-yl]oxy}-N-methylpyridine-2-carboxamide
CID 11489166
N-methyl-4-[(2-{[4-(trifluoromethyl)phenyl]amino}-1H-1,3-benzodiazol-5-yl)oxy]pyridine-2-carboxamide
CID 22040627
N-methyl-4-[(2-{[3-(trifluoromethyl)phenyl]amino}-1H-1,3-benzodiazol-5-yl)oxy]pyridine-2-carboxamide
CID 22041119
Aminoimidazo[1,2-a]pyridine deriv. 38
CID 5330617
Aminoimidazo[1,2-a]pyridine deriv. 10
CID 5330632
4-{5-[(1-Methylpiperidin-4-YL)oxy]-1H-benzimidazol-1-YL}-2-{(1R)-1-[2-(trifluoromethyl)phenyl]ethoxy}benzamide
CID 50990894
2-(5-(3-(2,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-7-carbonyl)-6-methoxy-1-methyl-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide
CID 44426974
2-((3,5-Dichloropyridin-4-yl)amino)-N-(2-fluoro-4-(trifluoromethyl)phenyl)-7,7-dimethyl-7,8-dihydro-1H-benzofuro[4,5-d]imidazole-5-carboxamide
CID 56968267
2-[(3,5-Dichloropyridin-4-yl)amino]-7,7-dimethyl-N-[4-(trifluoromethyl)phenyl]-7,8-dihydro-1H-furo[3,2-e]benzimidazole-5-carboxamide
CID 56968481
2-[(3,5-dichloropyridin-4-yl)amino]-7-methyl-N-[4-(trifluoromethyl)phenyl]-3H-furo[3,2-e]benzimidazole-5-carboxamide
CID 56968927
2-(2,6-dichloroanilino)-N-(6-methoxy-3-pyridinyl)-7,7-dimethyl-3,8-dihydrofuro[3,2-e]benzimidazole-5-carboxamide
CID 56969153

Frequently Asked Questions

What is the IUPAC name of [6-(2,4-difluoroanilino)-3-pyridinyl]-(6-methoxy-2-methyl-3H-benzimidazol-5-yl)methanone?
The IUPAC name of [6-(2,4-difluoroanilino)-3-pyridinyl]-(6-methoxy-2-methyl-3H-benzimidazol-5-yl)methanone (CID 10111212) is [6-(2,4-difluoroanilino)-3-pyridinyl]-(6-methoxy-2-methyl-3H-benzimidazol-5-yl)methanone.
What is the SMILES notation for [6-(2,4-difluoroanilino)-3-pyridinyl]-(6-methoxy-2-methyl-3H-benzimidazol-5-yl)methanone?
The canonical SMILES for [6-(2,4-difluoroanilino)-3-pyridinyl]-(6-methoxy-2-methyl-3H-benzimidazol-5-yl)methanone is COc1cc2nc(C)[nH]c2cc1C(=O)c1ccc(Nc2ccc(F)cc2F)nc1.
What is the InChIKey of [6-(2,4-difluoroanilino)-3-pyridinyl]-(6-methoxy-2-methyl-3H-benzimidazol-5-yl)methanone?
The InChIKey is BLCPCYACPKGWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N4O2/c1-11-25-17-8-14(19(29-2)9-18(17)26-11)21(28)12-3-6-20(24-10-12)27-16-5-4-13(22)7-15(16)23/h3-10H,1-2H3,(H,24,27)(H,25,26).
What are the key properties of [6-(2,4-difluoroanilino)-3-pyridinyl]-(6-methoxy-2-methyl-3H-benzimidazol-5-yl)methanone?
[6-(2,4-difluoroanilino)-3-pyridinyl]-(6-methoxy-2-methyl-3H-benzimidazol-5-yl)methanone has a molecular weight of 394.38 g/mol, XLogP of 4.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2,4-difluoroanilino)-3-pyridinyl]-(6-methoxy-2-methyl-3H-benzimidazol-5-yl)methanone is sourced from PubChem (CID 10111212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).