4-methyl-N-[4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1H-benzimidazol-2-amine

C28H23N7O — CID 24983494

IUPAC4-methyl-N-[4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1H-benzimidazol-2-amine
SMILESCNc1nccc(-c2cccnc2Oc2ccc(Nc3nc4c(C)cccc4[nH]3)c3ccccc23)n1
InChIInChI=1S/C28H23N7O/c1-17-7-5-11-23-25(17)35-28(34-23)33-21-12-13-24(19-9-4-3-8-18(19)21)36-26-20(10-6-15-30-26)22-14-16-31-27(29-2)32-22/h3-16H,1-2H3,(H,29,31,32)(H2,33,34,35)
InChIKeyNMQGVPMNRSWCJZ-UHFFFAOYSA-N
MW473.54 g/mol
LogP6.45
Rot. Bonds6

About 4-methyl-N-[4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1H-benzimidazol-2-amine

4-methyl-N-[4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1H-benzimidazol-2-amine (PubChem CID 24983494) has the molecular formula C28H23N7O and a molecular weight of 473.54 g/mol. Its IUPAC name is 4-methyl-N-[4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-[4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1H-benzimidazol-2-amine
PubChem CID24983494
Molecular FormulaC28H23N7O
Molecular Weight473.54 g/mol
Exact Mass473.20
IUPAC Name4-methyl-N-[4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1H-benzimidazol-2-amine
SMILESCNc1nccc(-c2cccnc2Oc2ccc(Nc3nc4c(C)cccc4[nH]3)c3ccccc23)n1
InChIInChI=1S/C28H23N7O/c1-17-7-5-11-23-25(17)35-28(34-23)33-21-12-13-24(19-9-4-3-8-18(19)21)36-26-20(10-6-15-30-26)22-14-16-31-27(29-2)32-22/h3-16H,1-2H3,(H,29,31,32)(H2,33,34,35)
InChIKeyNMQGVPMNRSWCJZ-UHFFFAOYSA-N
XLogP6.45
TPSA100.64 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.54
LogP ≤ 56.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1H-benzimidazol-2-amine?
The IUPAC name of 4-methyl-N-[4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1H-benzimidazol-2-amine (CID 24983494) is 4-methyl-N-[4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1H-benzimidazol-2-amine.
What is the SMILES notation for 4-methyl-N-[4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1H-benzimidazol-2-amine?
The canonical SMILES for 4-methyl-N-[4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1H-benzimidazol-2-amine is CNc1nccc(-c2cccnc2Oc2ccc(Nc3nc4c(C)cccc4[nH]3)c3ccccc23)n1.
What is the InChIKey of 4-methyl-N-[4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1H-benzimidazol-2-amine?
The InChIKey is NMQGVPMNRSWCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N7O/c1-17-7-5-11-23-25(17)35-28(34-23)33-21-12-13-24(19-9-4-3-8-18(19)21)36-26-20(10-6-15-30-26)22-14-16-31-27(29-2)32-22/h3-16H,1-2H3,(H,29,31,32)(H2,33,34,35).
What are the key properties of 4-methyl-N-[4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1H-benzimidazol-2-amine?
4-methyl-N-[4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1H-benzimidazol-2-amine has a molecular weight of 473.54 g/mol, XLogP of 6.45, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]naphthalen-1-yl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 24983494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).