4-[4-(benzimidazol-1-yl)phenyl]pyrimidin-2-amine

C17H13N5 — CID 1477777

IUPAC4-[4-(benzimidazol-1-yl)phenyl]pyrimidin-2-amine
SMILESNc1nccc(-c2ccc(-n3cnc4ccccc43)cc2)n1
InChIInChI=1S/C17H13N5/c18-17-19-10-9-14(21-17)12-5-7-13(8-6-12)22-11-20-15-3-1-2-4-16(15)22/h1-11H,(H2,18,19,21)
InChIKeyHRVCVRYPQNBZKI-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.06
Rot. Bonds2

About 4-[4-(benzimidazol-1-yl)phenyl]pyrimidin-2-amine

4-[4-(benzimidazol-1-yl)phenyl]pyrimidin-2-amine (PubChem CID 1477777) has the molecular formula C17H13N5 and a molecular weight of 287.33 g/mol. Its IUPAC name is 4-[4-(benzimidazol-1-yl)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-(benzimidazol-1-yl)phenyl]pyrimidin-2-amine
PubChem CID1477777
Molecular FormulaC17H13N5
Molecular Weight287.33 g/mol
Exact Mass287.12
IUPAC Name4-[4-(benzimidazol-1-yl)phenyl]pyrimidin-2-amine
SMILESNc1nccc(-c2ccc(-n3cnc4ccccc43)cc2)n1
InChIInChI=1S/C17H13N5/c18-17-19-10-9-14(21-17)12-5-7-13(8-6-12)22-11-20-15-3-1-2-4-16(15)22/h1-11H,(H2,18,19,21)
InChIKeyHRVCVRYPQNBZKI-UHFFFAOYSA-N
XLogP3.06
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(benzimidazol-1-yl)phenyl]pyrimidin-2-amine?
The IUPAC name of 4-[4-(benzimidazol-1-yl)phenyl]pyrimidin-2-amine (CID 1477777) is 4-[4-(benzimidazol-1-yl)phenyl]pyrimidin-2-amine.
What is the SMILES notation for 4-[4-(benzimidazol-1-yl)phenyl]pyrimidin-2-amine?
The canonical SMILES for 4-[4-(benzimidazol-1-yl)phenyl]pyrimidin-2-amine is Nc1nccc(-c2ccc(-n3cnc4ccccc43)cc2)n1.
What is the InChIKey of 4-[4-(benzimidazol-1-yl)phenyl]pyrimidin-2-amine?
The InChIKey is HRVCVRYPQNBZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5/c18-17-19-10-9-14(21-17)12-5-7-13(8-6-12)22-11-20-15-3-1-2-4-16(15)22/h1-11H,(H2,18,19,21).
What are the key properties of 4-[4-(benzimidazol-1-yl)phenyl]pyrimidin-2-amine?
4-[4-(benzimidazol-1-yl)phenyl]pyrimidin-2-amine has a molecular weight of 287.33 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(benzimidazol-1-yl)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 1477777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).