4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxypyridine-2-carbonitrile

C21H17N5O — CID 70839088

IUPAC4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxypyridine-2-carbonitrile
SMILESCc1ccc(Nc2nc3cc(Oc4ccnc(C#N)c4)ccc3n2C)cc1
InChIInChI=1S/C21H17N5O/c1-14-3-5-15(6-4-14)24-21-25-19-12-17(7-8-20(19)26(21)2)27-18-9-10-23-16(11-18)13-22/h3-12H,1-2H3,(H,24,25)
InChIKeyRFTIGZKMFPYWBK-UHFFFAOYSA-N
MW355.40 g/mol
LogP4.68
Rot. Bonds4

About 4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxypyridine-2-carbonitrile

4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxypyridine-2-carbonitrile (PubChem CID 70839088) has the molecular formula C21H17N5O and a molecular weight of 355.40 g/mol. Its IUPAC name is 4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxypyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxypyridine-2-carbonitrile
PubChem CID70839088
Molecular FormulaC21H17N5O
Molecular Weight355.40 g/mol
Exact Mass355.14
IUPAC Name4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxypyridine-2-carbonitrile
SMILESCc1ccc(Nc2nc3cc(Oc4ccnc(C#N)c4)ccc3n2C)cc1
InChIInChI=1S/C21H17N5O/c1-14-3-5-15(6-4-14)24-21-25-19-12-17(7-8-20(19)26(21)2)27-18-9-10-23-16(11-18)13-22/h3-12H,1-2H3,(H,24,25)
InChIKeyRFTIGZKMFPYWBK-UHFFFAOYSA-N
XLogP4.68
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxypyridine-2-carbonitrile?
The IUPAC name of 4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxypyridine-2-carbonitrile (CID 70839088) is 4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxypyridine-2-carbonitrile.
What is the SMILES notation for 4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxypyridine-2-carbonitrile?
The canonical SMILES for 4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxypyridine-2-carbonitrile is Cc1ccc(Nc2nc3cc(Oc4ccnc(C#N)c4)ccc3n2C)cc1.
What is the InChIKey of 4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxypyridine-2-carbonitrile?
The InChIKey is RFTIGZKMFPYWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O/c1-14-3-5-15(6-4-14)24-21-25-19-12-17(7-8-20(19)26(21)2)27-18-9-10-23-16(11-18)13-22/h3-12H,1-2H3,(H,24,25).
What are the key properties of 4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxypyridine-2-carbonitrile?
4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxypyridine-2-carbonitrile has a molecular weight of 355.40 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxypyridine-2-carbonitrile is sourced from PubChem (CID 70839088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).