5-benzyl-6-pyridin-2-yl-6H-benzimidazolo[1,2-c]quinazoline

C26H20N4 — CID 3361555

IUPAC5-benzyl-6-pyridin-2-yl-6H-benzimidazolo[1,2-c]quinazoline
SMILESc1ccc(CN2c3ccccc3-c3nc4ccccc4n3C2c2ccccn2)cc1
InChIInChI=1S/C26H20N4/c1-2-10-19(11-3-1)18-29-23-15-6-4-12-20(23)25-28-21-13-5-7-16-24(21)30(25)26(29)22-14-8-9-17-27-22/h1-17,26H,18H2
InChIKeyNTKLWLSNBMKSBC-UHFFFAOYSA-N
MW388.47 g/mol
LogP5.67
Rot. Bonds3

About 5-benzyl-6-pyridin-2-yl-6H-benzimidazolo[1,2-c]quinazoline

5-benzyl-6-pyridin-2-yl-6H-benzimidazolo[1,2-c]quinazoline (PubChem CID 3361555) has the molecular formula C26H20N4 and a molecular weight of 388.47 g/mol. Its IUPAC name is 5-benzyl-6-pyridin-2-yl-6H-benzimidazolo[1,2-c]quinazoline.

Molecular Properties

Compound Name5-benzyl-6-pyridin-2-yl-6H-benzimidazolo[1,2-c]quinazoline
PubChem CID3361555
Molecular FormulaC26H20N4
Molecular Weight388.47 g/mol
Exact Mass388.17
IUPAC Name5-benzyl-6-pyridin-2-yl-6H-benzimidazolo[1,2-c]quinazoline
SMILESc1ccc(CN2c3ccccc3-c3nc4ccccc4n3C2c2ccccn2)cc1
InChIInChI=1S/C26H20N4/c1-2-10-19(11-3-1)18-29-23-15-6-4-12-20(23)25-28-21-13-5-7-16-24(21)30(25)26(29)22-14-8-9-17-27-22/h1-17,26H,18H2
InChIKeyNTKLWLSNBMKSBC-UHFFFAOYSA-N
XLogP5.67
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.47
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-6-pyridin-2-yl-6H-benzimidazolo[1,2-c]quinazoline?
The IUPAC name of 5-benzyl-6-pyridin-2-yl-6H-benzimidazolo[1,2-c]quinazoline (CID 3361555) is 5-benzyl-6-pyridin-2-yl-6H-benzimidazolo[1,2-c]quinazoline.
What is the SMILES notation for 5-benzyl-6-pyridin-2-yl-6H-benzimidazolo[1,2-c]quinazoline?
The canonical SMILES for 5-benzyl-6-pyridin-2-yl-6H-benzimidazolo[1,2-c]quinazoline is c1ccc(CN2c3ccccc3-c3nc4ccccc4n3C2c2ccccn2)cc1.
What is the InChIKey of 5-benzyl-6-pyridin-2-yl-6H-benzimidazolo[1,2-c]quinazoline?
The InChIKey is NTKLWLSNBMKSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4/c1-2-10-19(11-3-1)18-29-23-15-6-4-12-20(23)25-28-21-13-5-7-16-24(21)30(25)26(29)22-14-8-9-17-27-22/h1-17,26H,18H2.
What are the key properties of 5-benzyl-6-pyridin-2-yl-6H-benzimidazolo[1,2-c]quinazoline?
5-benzyl-6-pyridin-2-yl-6H-benzimidazolo[1,2-c]quinazoline has a molecular weight of 388.47 g/mol, XLogP of 5.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-6-pyridin-2-yl-6H-benzimidazolo[1,2-c]quinazoline is sourced from PubChem (CID 3361555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).