6-quinazolin-2-yl-1H-benzimidazol-2-amine

C15H11N5 — CID 175752909

IUPAC6-quinazolin-2-yl-1H-benzimidazol-2-amine
SMILESNc1nc2ccc(-c3ncc4ccccc4n3)cc2[nH]1
InChIInChI=1S/C15H11N5/c16-15-19-12-6-5-9(7-13(12)20-15)14-17-8-10-3-1-2-4-11(10)18-14/h1-8H,(H3,16,19,20)
InChIKeyLPEDCXPXHIFVNK-UHFFFAOYSA-N
MW261.29 g/mol
LogP2.76
Rot. Bonds1

About 6-quinazolin-2-yl-1H-benzimidazol-2-amine

6-quinazolin-2-yl-1H-benzimidazol-2-amine (PubChem CID 175752909) has the molecular formula C15H11N5 and a molecular weight of 261.29 g/mol. Its IUPAC name is 6-quinazolin-2-yl-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name6-quinazolin-2-yl-1H-benzimidazol-2-amine
PubChem CID175752909
Molecular FormulaC15H11N5
Molecular Weight261.29 g/mol
Exact Mass261.10
IUPAC Name6-quinazolin-2-yl-1H-benzimidazol-2-amine
SMILESNc1nc2ccc(-c3ncc4ccccc4n3)cc2[nH]1
InChIInChI=1S/C15H11N5/c16-15-19-12-6-5-9(7-13(12)20-15)14-17-8-10-3-1-2-4-11(10)18-14/h1-8H,(H3,16,19,20)
InChIKeyLPEDCXPXHIFVNK-UHFFFAOYSA-N
XLogP2.76
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-quinazolin-2-yl-1H-benzimidazol-2-amine?
The IUPAC name of 6-quinazolin-2-yl-1H-benzimidazol-2-amine (CID 175752909) is 6-quinazolin-2-yl-1H-benzimidazol-2-amine.
What is the SMILES notation for 6-quinazolin-2-yl-1H-benzimidazol-2-amine?
The canonical SMILES for 6-quinazolin-2-yl-1H-benzimidazol-2-amine is Nc1nc2ccc(-c3ncc4ccccc4n3)cc2[nH]1.
What is the InChIKey of 6-quinazolin-2-yl-1H-benzimidazol-2-amine?
The InChIKey is LPEDCXPXHIFVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5/c16-15-19-12-6-5-9(7-13(12)20-15)14-17-8-10-3-1-2-4-11(10)18-14/h1-8H,(H3,16,19,20).
What are the key properties of 6-quinazolin-2-yl-1H-benzimidazol-2-amine?
6-quinazolin-2-yl-1H-benzimidazol-2-amine has a molecular weight of 261.29 g/mol, XLogP of 2.76, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-quinazolin-2-yl-1H-benzimidazol-2-amine is sourced from PubChem (CID 175752909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).