[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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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).