2-(3-naphthalen-1-ylphenyl)-4-phenylpyrimido[1,2-a]benzimidazole

C32H21N3 — CID 122502958

IUPAC2-(3-naphthalen-1-ylphenyl)-4-phenylpyrimido[1,2-a]benzimidazole
SMILESc1ccc(-c2cc(-c3cccc(-c4cccc5ccccc45)c3)nc3nc4ccccc4n23)cc1
InChIInChI=1S/C32H21N3/c1-2-11-23(12-3-1)31-21-29(34-32-33-28-18-6-7-19-30(28)35(31)32)25-15-8-14-24(20-25)27-17-9-13-22-10-4-5-16-26(22)27/h1-21H
InChIKeyFLQRBPKRAJAACC-UHFFFAOYSA-N
MW447.54 g/mol
LogP8.04
Rot. Bonds3

About 2-(3-naphthalen-1-ylphenyl)-4-phenylpyrimido[1,2-a]benzimidazole

2-(3-naphthalen-1-ylphenyl)-4-phenylpyrimido[1,2-a]benzimidazole (PubChem CID 122502958) has the molecular formula C32H21N3 and a molecular weight of 447.54 g/mol. Its IUPAC name is 2-(3-naphthalen-1-ylphenyl)-4-phenylpyrimido[1,2-a]benzimidazole.

Molecular Properties

Compound Name2-(3-naphthalen-1-ylphenyl)-4-phenylpyrimido[1,2-a]benzimidazole
PubChem CID122502958
Molecular FormulaC32H21N3
Molecular Weight447.54 g/mol
Exact Mass447.17
IUPAC Name2-(3-naphthalen-1-ylphenyl)-4-phenylpyrimido[1,2-a]benzimidazole
SMILESc1ccc(-c2cc(-c3cccc(-c4cccc5ccccc45)c3)nc3nc4ccccc4n23)cc1
InChIInChI=1S/C32H21N3/c1-2-11-23(12-3-1)31-21-29(34-32-33-28-18-6-7-19-30(28)35(31)32)25-15-8-14-24(20-25)27-17-9-13-22-10-4-5-16-26(22)27/h1-21H
InChIKeyFLQRBPKRAJAACC-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-(4-naphthalen-1-ylphenyl)-4-phenylpyrimido[1,2-a]benzimidazole
CID 122502940
4-(4-phenanthren-9-ylphenyl)-2-phenylpyrimido[1,2-a]benzimidazole
CID 122503004
2-[4-[3-(benzenesulfinyl)phenyl]naphthalen-1-yl]-4-phenylpyrimido[1,2-a]benzimidazole
CID 122503029
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-phenyl-4-(3,4,5-trimethoxyphenyl)pyrimido[1,2-a]benzimidazole
CID 132502019
4-phenylpyrimido[1,2-a]benzimidazol-2-amine
CID 2825239
8-naphthalen-2-yl-2,4-diphenylpyrimido[1,2-a]benzimidazole
CID 122503020
2,6-bis(3-naphthalen-1-ylphenyl)-4-[4-(3-naphthalen-1-ylphenyl)phenyl]pyridine
CID 118901430
2-naphthalen-1-yl-4-(3-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 130465785
10-naphthalen-1-yl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaene
CID 58038272

Frequently Asked Questions

What is the IUPAC name of 2-(3-naphthalen-1-ylphenyl)-4-phenylpyrimido[1,2-a]benzimidazole?
The IUPAC name of 2-(3-naphthalen-1-ylphenyl)-4-phenylpyrimido[1,2-a]benzimidazole (CID 122502958) is 2-(3-naphthalen-1-ylphenyl)-4-phenylpyrimido[1,2-a]benzimidazole.
What is the SMILES notation for 2-(3-naphthalen-1-ylphenyl)-4-phenylpyrimido[1,2-a]benzimidazole?
The canonical SMILES for 2-(3-naphthalen-1-ylphenyl)-4-phenylpyrimido[1,2-a]benzimidazole is c1ccc(-c2cc(-c3cccc(-c4cccc5ccccc45)c3)nc3nc4ccccc4n23)cc1.
What is the InChIKey of 2-(3-naphthalen-1-ylphenyl)-4-phenylpyrimido[1,2-a]benzimidazole?
The InChIKey is FLQRBPKRAJAACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21N3/c1-2-11-23(12-3-1)31-21-29(34-32-33-28-18-6-7-19-30(28)35(31)32)25-15-8-14-24(20-25)27-17-9-13-22-10-4-5-16-26(22)27/h1-21H.
What are the key properties of 2-(3-naphthalen-1-ylphenyl)-4-phenylpyrimido[1,2-a]benzimidazole?
2-(3-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-(3-naphthalen-1-ylphenyl)-4-phenylpyrimido[1,2-a]benzimidazole is sourced from PubChem (CID 122502958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).