5-[2-[2-(2-aminoethylideneamino)phenyl]-1-tert-butylbenzimidazol-5-yl]pyrimidin-2-amine

C23H25N7 — CID 123547788

IUPAC5-[2-[2-(2-aminoethylideneamino)phenyl]-1-tert-butylbenzimidazol-5-yl]pyrimidin-2-amine
SMILESCC(C)(C)n1c(-c2ccccc2/N=C/CN)nc2cc(-c3cnc(N)nc3)ccc21
InChIInChI=1S/C23H25N7/c1-23(2,3)30-20-9-8-15(16-13-27-22(25)28-14-16)12-19(20)29-21(30)17-6-4-5-7-18(17)26-11-10-24/h4-9,11-14H,10,24H2,1-3H3,(H2,25,27,28)/b26-11+
InChIKeyVEUHJMDLEYGXLC-KBKYJPHKSA-N
MW399.50 g/mol
LogP4.16
Rot. Bonds4

About 5-[2-[2-(2-aminoethylideneamino)phenyl]-1-tert-butylbenzimidazol-5-yl]pyrimidin-2-amine

5-[2-[2-(2-aminoethylideneamino)phenyl]-1-tert-butylbenzimidazol-5-yl]pyrimidin-2-amine (PubChem CID 123547788) has the molecular formula C23H25N7 and a molecular weight of 399.50 g/mol. Its IUPAC name is 5-[2-[2-(2-aminoethylideneamino)phenyl]-1-tert-butylbenzimidazol-5-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[2-[2-(2-aminoethylideneamino)phenyl]-1-tert-butylbenzimidazol-5-yl]pyrimidin-2-amine
PubChem CID123547788
Molecular FormulaC23H25N7
Molecular Weight399.50 g/mol
Exact Mass399.22
IUPAC Name5-[2-[2-(2-aminoethylideneamino)phenyl]-1-tert-butylbenzimidazol-5-yl]pyrimidin-2-amine
SMILESCC(C)(C)n1c(-c2ccccc2/N=C/CN)nc2cc(-c3cnc(N)nc3)ccc21
InChIInChI=1S/C23H25N7/c1-23(2,3)30-20-9-8-15(16-13-27-22(25)28-14-16)12-19(20)29-21(30)17-6-4-5-7-18(17)26-11-10-24/h4-9,11-14H,10,24H2,1-3H3,(H2,25,27,28)/b26-11+
InChIKeyVEUHJMDLEYGXLC-KBKYJPHKSA-N
XLogP4.16
TPSA108.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(2-aminoethylideneamino)phenyl]-1-tert-butylbenzimidazol-5-yl]pyrimidin-2-amine?
The IUPAC name of 5-[2-[2-(2-aminoethylideneamino)phenyl]-1-tert-butylbenzimidazol-5-yl]pyrimidin-2-amine (CID 123547788) is 5-[2-[2-(2-aminoethylideneamino)phenyl]-1-tert-butylbenzimidazol-5-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-[2-[2-(2-aminoethylideneamino)phenyl]-1-tert-butylbenzimidazol-5-yl]pyrimidin-2-amine?
The canonical SMILES for 5-[2-[2-(2-aminoethylideneamino)phenyl]-1-tert-butylbenzimidazol-5-yl]pyrimidin-2-amine is CC(C)(C)n1c(-c2ccccc2/N=C/CN)nc2cc(-c3cnc(N)nc3)ccc21.
What is the InChIKey of 5-[2-[2-(2-aminoethylideneamino)phenyl]-1-tert-butylbenzimidazol-5-yl]pyrimidin-2-amine?
The InChIKey is VEUHJMDLEYGXLC-KBKYJPHKSA-N. The full InChI is InChI=1S/C23H25N7/c1-23(2,3)30-20-9-8-15(16-13-27-22(25)28-14-16)12-19(20)29-21(30)17-6-4-5-7-18(17)26-11-10-24/h4-9,11-14H,10,24H2,1-3H3,(H2,25,27,28)/b26-11+.
What are the key properties of 5-[2-[2-(2-aminoethylideneamino)phenyl]-1-tert-butylbenzimidazol-5-yl]pyrimidin-2-amine?
5-[2-[2-(2-aminoethylideneamino)phenyl]-1-tert-butylbenzimidazol-5-yl]pyrimidin-2-amine has a molecular weight of 399.50 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(2-aminoethylideneamino)phenyl]-1-tert-butylbenzimidazol-5-yl]pyrimidin-2-amine is sourced from PubChem (CID 123547788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).