6-(4,6-diphenylpyrimidin-2-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline

C30H21N5 — CID 136931573

IUPAC6-(4,6-diphenylpyrimidin-2-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
SMILESc1ccc(-c2cc(-c3ccccc3)nc(C3Nc4ccccc4-c4nc5ccccc5n43)n2)cc1
InChIInChI=1S/C30H21N5/c1-3-11-20(12-4-1)25-19-26(21-13-5-2-6-14-21)32-28(31-25)30-33-23-16-8-7-15-22(23)29-34-24-17-9-10-18-27(24)35(29)30/h1-19,30,33H
InChIKeyMKSJREQQBXTACW-UHFFFAOYSA-N
MW451.53 g/mol
LogP6.80
Rot. Bonds3

About 6-(4,6-diphenylpyrimidin-2-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline

6-(4,6-diphenylpyrimidin-2-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline (PubChem CID 136931573) has the molecular formula C30H21N5 and a molecular weight of 451.53 g/mol. Its IUPAC name is 6-(4,6-diphenylpyrimidin-2-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline.

Molecular Properties

Compound Name6-(4,6-diphenylpyrimidin-2-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
PubChem CID136931573
Molecular FormulaC30H21N5
Molecular Weight451.53 g/mol
Exact Mass451.18
IUPAC Name6-(4,6-diphenylpyrimidin-2-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
SMILESc1ccc(-c2cc(-c3ccccc3)nc(C3Nc4ccccc4-c4nc5ccccc5n43)n2)cc1
InChIInChI=1S/C30H21N5/c1-3-11-20(12-4-1)25-19-26(21-13-5-2-6-14-21)32-28(31-25)30-33-23-16-8-7-15-22(23)29-34-24-17-9-10-18-27(24)35(29)30/h1-19,30,33H
InChIKeyMKSJREQQBXTACW-UHFFFAOYSA-N
XLogP6.80
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.53
LogP ≤ 56.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4,6-diphenylpyrimidin-2-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline?
The IUPAC name of 6-(4,6-diphenylpyrimidin-2-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline (CID 136931573) is 6-(4,6-diphenylpyrimidin-2-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline.
What is the SMILES notation for 6-(4,6-diphenylpyrimidin-2-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline?
The canonical SMILES for 6-(4,6-diphenylpyrimidin-2-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline is c1ccc(-c2cc(-c3ccccc3)nc(C3Nc4ccccc4-c4nc5ccccc5n43)n2)cc1.
What is the InChIKey of 6-(4,6-diphenylpyrimidin-2-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline?
The InChIKey is MKSJREQQBXTACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21N5/c1-3-11-20(12-4-1)25-19-26(21-13-5-2-6-14-21)32-28(31-25)30-33-23-16-8-7-15-22(23)29-34-24-17-9-10-18-27(24)35(29)30/h1-19,30,33H.
What are the key properties of 6-(4,6-diphenylpyrimidin-2-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline?
6-(4,6-diphenylpyrimidin-2-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline has a molecular weight of 451.53 g/mol, XLogP of 6.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,6-diphenylpyrimidin-2-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline is sourced from PubChem (CID 136931573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).