5-(4-naphthalen-1-ylphenyl)benzimidazolo[1,2-a]quinazoline

C30H19N3 — CID 134222641

IUPAC5-(4-naphthalen-1-ylphenyl)benzimidazolo[1,2-a]quinazoline
SMILESc1ccc2c(-c3ccc(-c4nc5nc6ccccc6n5c5ccccc45)cc3)cccc2c1
InChIInChI=1S/C30H19N3/c1-2-10-23-20(8-1)9-7-12-24(23)21-16-18-22(19-17-21)29-25-11-3-5-14-27(25)33-28-15-6-4-13-26(28)31-30(33)32-29/h1-19H
InChIKeyDNJCJZLWZCEUTN-UHFFFAOYSA-N
MW421.50 g/mol
LogP7.52
Rot. Bonds2

About 5-(4-naphthalen-1-ylphenyl)benzimidazolo[1,2-a]quinazoline

5-(4-naphthalen-1-ylphenyl)benzimidazolo[1,2-a]quinazoline (PubChem CID 134222641) has the molecular formula C30H19N3 and a molecular weight of 421.50 g/mol. Its IUPAC name is 5-(4-naphthalen-1-ylphenyl)benzimidazolo[1,2-a]quinazoline.

Molecular Properties

Compound Name5-(4-naphthalen-1-ylphenyl)benzimidazolo[1,2-a]quinazoline
PubChem CID134222641
Molecular FormulaC30H19N3
Molecular Weight421.50 g/mol
Exact Mass421.16
IUPAC Name5-(4-naphthalen-1-ylphenyl)benzimidazolo[1,2-a]quinazoline
SMILESc1ccc2c(-c3ccc(-c4nc5nc6ccccc6n5c5ccccc45)cc3)cccc2c1
InChIInChI=1S/C30H19N3/c1-2-10-23-20(8-1)9-7-12-24(23)21-16-18-22(19-17-21)29-25-11-3-5-14-27(25)33-28-15-6-4-13-26(28)31-30(33)32-29/h1-19H
InChIKeyDNJCJZLWZCEUTN-UHFFFAOYSA-N
XLogP7.52
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.50
LogP ≤ 57.52
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
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
2-(3-naphthalen-1-ylphenyl)-4-phenylpyrimido[1,2-a]benzimidazole
CID 122502958
1,2-bis(4-naphthalen-1-ylphenyl)benzimidazole
CID 58106321
6-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]indolo[1,2-a]quinoxaline
CID 145180592
6-(2-naphthalen-1-ylcarbazol-9-yl)benzimidazolo[1,2-c]quinazoline
CID 134509148
12-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 131999015
7-[4-(2-naphthalen-1-yl-4,6-diphenylpyrimidin-5-yl)phenyl]indolo[1,2-a]quinoxaline
CID 145180495
10-[4-(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-decaen-10-yl)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 58281870
6-(4-dibenzothiophen-4-ylphenyl)indolo[1,2-a]quinoxaline
CID 145180261
4-(4-perylen-3-ylphenyl)-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene
CID 58037841
3-[4-(1,1,4,4,8,8,11,11-octamethyl-13-naphthalen-1-yl-2,3,9,10-tetrahydropentacen-6-yl)phenyl]-5-propan-2-ylbenzimidazolo[1,2-a]quinazoline
CID 87277134

Frequently Asked Questions

What is the IUPAC name of 5-(4-naphthalen-1-ylphenyl)benzimidazolo[1,2-a]quinazoline?
The IUPAC name of 5-(4-naphthalen-1-ylphenyl)benzimidazolo[1,2-a]quinazoline (CID 134222641) is 5-(4-naphthalen-1-ylphenyl)benzimidazolo[1,2-a]quinazoline.
What is the SMILES notation for 5-(4-naphthalen-1-ylphenyl)benzimidazolo[1,2-a]quinazoline?
The canonical SMILES for 5-(4-naphthalen-1-ylphenyl)benzimidazolo[1,2-a]quinazoline is c1ccc2c(-c3ccc(-c4nc5nc6ccccc6n5c5ccccc45)cc3)cccc2c1.
What is the InChIKey of 5-(4-naphthalen-1-ylphenyl)benzimidazolo[1,2-a]quinazoline?
The InChIKey is DNJCJZLWZCEUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19N3/c1-2-10-23-20(8-1)9-7-12-24(23)21-16-18-22(19-17-21)29-25-11-3-5-14-27(25)33-28-15-6-4-13-26(28)31-30(33)32-29/h1-19H.
What are the key properties of 5-(4-naphthalen-1-ylphenyl)benzimidazolo[1,2-a]quinazoline?
5-(4-naphthalen-1-ylphenyl)benzimidazolo[1,2-a]quinazoline has a molecular weight of 421.50 g/mol, XLogP of 7.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-naphthalen-1-ylphenyl)benzimidazolo[1,2-a]quinazoline is sourced from PubChem (CID 134222641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).