2-(4-naphthalen-1-ylphenyl)-4-phenylpyrimido[1,2-a]benzimidazole

C32H21N3 — CID 122502940

IUPAC2-(4-naphthalen-1-ylphenyl)-4-phenylpyrimido[1,2-a]benzimidazole
SMILESc1ccc(-c2cc(-c3ccc(-c4cccc5ccccc45)cc3)nc3nc4ccccc4n23)cc1
InChIInChI=1S/C32H21N3/c1-2-10-25(11-3-1)31-21-29(34-32-33-28-15-6-7-16-30(28)35(31)32)24-19-17-23(18-20-24)27-14-8-12-22-9-4-5-13-26(22)27/h1-21H
InChIKeyCFOOIORRUXFXQS-UHFFFAOYSA-N
MW447.54 g/mol
LogP8.04
Rot. Bonds3

About 2-(4-naphthalen-1-ylphenyl)-4-phenylpyrimido[1,2-a]benzimidazole

2-(4-naphthalen-1-ylphenyl)-4-phenylpyrimido[1,2-a]benzimidazole (PubChem CID 122502940) has the molecular formula C32H21N3 and a molecular weight of 447.54 g/mol. Its IUPAC name is 2-(4-naphthalen-1-ylphenyl)-4-phenylpyrimido[1,2-a]benzimidazole.

Molecular Properties

Compound Name2-(4-naphthalen-1-ylphenyl)-4-phenylpyrimido[1,2-a]benzimidazole
PubChem CID122502940
Molecular FormulaC32H21N3
Molecular Weight447.54 g/mol
Exact Mass447.17
IUPAC Name2-(4-naphthalen-1-ylphenyl)-4-phenylpyrimido[1,2-a]benzimidazole
SMILESc1ccc(-c2cc(-c3ccc(-c4cccc5ccccc45)cc3)nc3nc4ccccc4n23)cc1
InChIInChI=1S/C32H21N3/c1-2-10-25(11-3-1)31-21-29(34-32-33-28-15-6-7-16-30(28)35(31)32)24-19-17-23(18-20-24)27-14-8-12-22-9-4-5-13-26(22)27/h1-21H
InChIKeyCFOOIORRUXFXQS-UHFFFAOYSA-N
XLogP8.04
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.54
LogP ≤ 58.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-naphthalen-1-ylphenyl)-4-phenylpyrimido[1,2-a]benzimidazole
CID 122502958
4-(4-phenanthren-9-ylphenyl)-2-phenylpyrimido[1,2-a]benzimidazole
CID 122503004
4-(4-fluorophenyl)-2-phenylpyrimido[1,2-a]benzimidazole
CID 132502018
4-[4-(4-phenylpyrimido[1,2-a]benzimidazol-2-yl)naphthalen-1-yl]benzonitrile
CID 122504593
5-(4-naphthalen-1-ylphenyl)benzimidazolo[1,2-a]quinazoline
CID 134222641
2-[4-[3-(benzenesulfinyl)phenyl]naphthalen-1-yl]-4-phenylpyrimido[1,2-a]benzimidazole
CID 122503029
8-naphthalen-2-yl-2,4-diphenylpyrimido[1,2-a]benzimidazole
CID 122503020
2-phenyl-4-(3,4,5-trimethoxyphenyl)pyrimido[1,2-a]benzimidazole
CID 132502019
4-phenylpyrimido[1,2-a]benzimidazol-2-amine
CID 2825239
2-naphthalen-1-yl-4,6-bis(4-naphthalen-1-ylphenyl)pyrimidine
CID 129265535
2-methyl-4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 130260993
4-naphthalen-1-yl-6-(4-naphthalen-1-ylphenyl)-2-(4-phenylphenyl)pyrimidine
CID 159653771

Frequently Asked Questions

What is the IUPAC name of 2-(4-naphthalen-1-ylphenyl)-4-phenylpyrimido[1,2-a]benzimidazole?
The IUPAC name of 2-(4-naphthalen-1-ylphenyl)-4-phenylpyrimido[1,2-a]benzimidazole (CID 122502940) is 2-(4-naphthalen-1-ylphenyl)-4-phenylpyrimido[1,2-a]benzimidazole.
What is the SMILES notation for 2-(4-naphthalen-1-ylphenyl)-4-phenylpyrimido[1,2-a]benzimidazole?
The canonical SMILES for 2-(4-naphthalen-1-ylphenyl)-4-phenylpyrimido[1,2-a]benzimidazole is c1ccc(-c2cc(-c3ccc(-c4cccc5ccccc45)cc3)nc3nc4ccccc4n23)cc1.
What is the InChIKey of 2-(4-naphthalen-1-ylphenyl)-4-phenylpyrimido[1,2-a]benzimidazole?
The InChIKey is CFOOIORRUXFXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21N3/c1-2-10-25(11-3-1)31-21-29(34-32-33-28-15-6-7-16-30(28)35(31)32)24-19-17-23(18-20-24)27-14-8-12-22-9-4-5-13-26(22)27/h1-21H.
What are the key properties of 2-(4-naphthalen-1-ylphenyl)-4-phenylpyrimido[1,2-a]benzimidazole?
2-(4-naphthalen-1-ylphenyl)-4-phenylpyrimido[1,2-a]benzimidazole has a molecular weight of 447.54 g/mol, XLogP of 8.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-naphthalen-1-ylphenyl)-4-phenylpyrimido[1,2-a]benzimidazole is sourced from PubChem (CID 122502940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).