8-naphthalen-2-yl-2,4-diphenylpyrimido[1,2-a]benzimidazole

C32H21N3 — CID 122503020

IUPAC8-naphthalen-2-yl-2,4-diphenylpyrimido[1,2-a]benzimidazole
SMILESc1ccc(-c2cc(-c3ccccc3)n3c(n2)nc2cc(-c4ccc5ccccc5c4)ccc23)cc1
InChIInChI=1S/C32H21N3/c1-3-10-23(11-4-1)28-21-31(24-12-5-2-6-13-24)35-30-18-17-27(20-29(30)34-32(35)33-28)26-16-15-22-9-7-8-14-25(22)19-26/h1-21H
InChIKeyCXVHRGORGLHJBF-UHFFFAOYSA-N
MW447.54 g/mol
LogP8.04
Rot. Bonds3

About 8-naphthalen-2-yl-2,4-diphenylpyrimido[1,2-a]benzimidazole

8-naphthalen-2-yl-2,4-diphenylpyrimido[1,2-a]benzimidazole (PubChem CID 122503020) has the molecular formula C32H21N3 and a molecular weight of 447.54 g/mol. Its IUPAC name is 8-naphthalen-2-yl-2,4-diphenylpyrimido[1,2-a]benzimidazole.

Molecular Properties

Compound Name8-naphthalen-2-yl-2,4-diphenylpyrimido[1,2-a]benzimidazole
PubChem CID122503020
Molecular FormulaC32H21N3
Molecular Weight447.54 g/mol
Exact Mass447.17
IUPAC Name8-naphthalen-2-yl-2,4-diphenylpyrimido[1,2-a]benzimidazole
SMILESc1ccc(-c2cc(-c3ccccc3)n3c(n2)nc2cc(-c4ccc5ccccc5c4)ccc23)cc1
InChIInChI=1S/C32H21N3/c1-3-10-23(11-4-1)28-21-31(24-12-5-2-6-13-24)35-30-18-17-27(20-29(30)34-32(35)33-28)26-16-15-22-9-7-8-14-25(22)19-26/h1-21H
InChIKeyCXVHRGORGLHJBF-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

4-(4-phenanthren-9-ylphenyl)-2-phenylpyrimido[1,2-a]benzimidazole
CID 122503004
2-(4-naphthalen-1-ylphenyl)-4-phenylpyrimido[1,2-a]benzimidazole
CID 122502940
2-(3-naphthalen-1-ylphenyl)-4-phenylpyrimido[1,2-a]benzimidazole
CID 122502958
2-phenyl-4-(3,4,5-trimethoxyphenyl)pyrimido[1,2-a]benzimidazole
CID 132502019
18-naphthalen-2-yl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8,10,12,15(20),16,18-decaene
CID 58038042
4-[4-[2-(4-methoxyphenyl)pyrimido[1,2-a]benzimidazol-4-yl]phenyl]morpholine
CID 171663395
4-[4-(4-phenylpyrimido[1,2-a]benzimidazol-2-yl)naphthalen-1-yl]benzonitrile
CID 122504593
2-(2,6-diphenyl-4-pyridinyl)-5-(10-naphthalen-2-ylanthracen-9-yl)-1-phenylbenzimidazole
CID 59010716
5-naphthalen-2-yl-7-phenyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 17198433
9-(2,6-diphenyl-4-pyridinyl)-14-naphthalen-2-yl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 140937339
4-(4-methylphenyl)-2-(3,4,5-trimethoxyphenyl)pyrimido[1,2-a]benzimidazole
CID 122378727
2-(4-bromophenyl)-4-naphthalen-2-yl-6-phenylpyridine
CID 141475623

Frequently Asked Questions

What is the IUPAC name of 8-naphthalen-2-yl-2,4-diphenylpyrimido[1,2-a]benzimidazole?
The IUPAC name of 8-naphthalen-2-yl-2,4-diphenylpyrimido[1,2-a]benzimidazole (CID 122503020) is 8-naphthalen-2-yl-2,4-diphenylpyrimido[1,2-a]benzimidazole.
What is the SMILES notation for 8-naphthalen-2-yl-2,4-diphenylpyrimido[1,2-a]benzimidazole?
The canonical SMILES for 8-naphthalen-2-yl-2,4-diphenylpyrimido[1,2-a]benzimidazole is c1ccc(-c2cc(-c3ccccc3)n3c(n2)nc2cc(-c4ccc5ccccc5c4)ccc23)cc1.
What is the InChIKey of 8-naphthalen-2-yl-2,4-diphenylpyrimido[1,2-a]benzimidazole?
The InChIKey is CXVHRGORGLHJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21N3/c1-3-10-23(11-4-1)28-21-31(24-12-5-2-6-13-24)35-30-18-17-27(20-29(30)34-32(35)33-28)26-16-15-22-9-7-8-14-25(22)19-26/h1-21H.
What are the key properties of 8-naphthalen-2-yl-2,4-diphenylpyrimido[1,2-a]benzimidazole?
8-naphthalen-2-yl-2,4-diphenylpyrimido[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 8-naphthalen-2-yl-2,4-diphenylpyrimido[1,2-a]benzimidazole is sourced from PubChem (CID 122503020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).