4-methyl-2-naphthalen-1-yl-1-nitrosoimidazo[1,2-a]benzimidazole

C20H14N4O — CID 3699438

IUPAC4-methyl-2-naphthalen-1-yl-1-nitrosoimidazo[1,2-a]benzimidazole
SMILESCn1c2ccccc2n2c(N=O)c(-c3cccc4ccccc34)nc12
InChIInChI=1S/C20H14N4O/c1-23-16-11-4-5-12-17(16)24-19(22-25)18(21-20(23)24)15-10-6-8-13-7-2-3-9-14(13)15/h2-12H,1H3
InChIKeyHDSDZSBSTFATNY-UHFFFAOYSA-N
MW326.36 g/mol
LogP5.04
Rot. Bonds2

About 4-methyl-2-naphthalen-1-yl-1-nitrosoimidazo[1,2-a]benzimidazole

4-methyl-2-naphthalen-1-yl-1-nitrosoimidazo[1,2-a]benzimidazole (PubChem CID 3699438) has the molecular formula C20H14N4O and a molecular weight of 326.36 g/mol. Its IUPAC name is 4-methyl-2-naphthalen-1-yl-1-nitrosoimidazo[1,2-a]benzimidazole.

Molecular Properties

Compound Name4-methyl-2-naphthalen-1-yl-1-nitrosoimidazo[1,2-a]benzimidazole
PubChem CID3699438
Molecular FormulaC20H14N4O
Molecular Weight326.36 g/mol
Exact Mass326.12
IUPAC Name4-methyl-2-naphthalen-1-yl-1-nitrosoimidazo[1,2-a]benzimidazole
SMILESCn1c2ccccc2n2c(N=O)c(-c3cccc4ccccc34)nc12
InChIInChI=1S/C20H14N4O/c1-23-16-11-4-5-12-17(16)24-19(22-25)18(21-20(23)24)15-10-6-8-13-7-2-3-9-14(13)15/h2-12H,1H3
InChIKeyHDSDZSBSTFATNY-UHFFFAOYSA-N
XLogP5.04
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.36
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-naphthalen-1-yl-2-nitroso-1-phenylindole
CID 151659862
9,20-dimethyl-2,9,11-triazapentacyclo[10.9.0.02,10.03,8.013,18]henicosa-1(12),3,5,7,10,13,15,17-octaen-19-one
CID 3708774
5,11-dimethyl-6,12-dinaphthalen-1-ylindolo[3,2-b]carbazole
CID 163788031
4-carbazol-9-yl-6-methylbenzimidazolo[1,2-a]benzimidazole
CID 164714389
9,21-dimethyl-6,18-dinaphthalen-1-yl-9,21-diazahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3(8),4,6,11,14(22),15(20),16,18,23-undecaene
CID 59182288
3,16-dimethyl-3,14,16,23-tetrazahexacyclo[11.10.0.02,10.04,9.015,23.017,22]tricosa-1(13),2(10),4,6,8,11,14,17,19,21-decaene
CID 155082278
3-methyl-5-naphthalen-1-ylimidazol-4-amine
CID 62017336
5-methylbenzimidazolo[2,1-b]quinazolin-12-one
CID 13458566
6-methylbenzimidazolo[1,2-a]quinazolin-5-one
CID 59232444
S-(4-methyl-2-phenylimidazo[1,2-a]benzimidazol-1-yl) propanethioate
CID 14997565
15-(3-naphthalen-1-ylbenzo[h]quinoxalin-2-yl)-4,15-diazaoctacyclo[14.12.0.02,14.03,11.04,26.05,10.019,28.022,27]octacosa-1(16),2(14),3(11),5,7,9,12,17,19(28),20,22(27),23,25-tridecaene
CID 162770281
1-methyl-4-naphthalen-1-ylpyrazole
CID 97034296

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-naphthalen-1-yl-1-nitrosoimidazo[1,2-a]benzimidazole?
The IUPAC name of 4-methyl-2-naphthalen-1-yl-1-nitrosoimidazo[1,2-a]benzimidazole (CID 3699438) is 4-methyl-2-naphthalen-1-yl-1-nitrosoimidazo[1,2-a]benzimidazole.
What is the SMILES notation for 4-methyl-2-naphthalen-1-yl-1-nitrosoimidazo[1,2-a]benzimidazole?
The canonical SMILES for 4-methyl-2-naphthalen-1-yl-1-nitrosoimidazo[1,2-a]benzimidazole is Cn1c2ccccc2n2c(N=O)c(-c3cccc4ccccc34)nc12.
What is the InChIKey of 4-methyl-2-naphthalen-1-yl-1-nitrosoimidazo[1,2-a]benzimidazole?
The InChIKey is HDSDZSBSTFATNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O/c1-23-16-11-4-5-12-17(16)24-19(22-25)18(21-20(23)24)15-10-6-8-13-7-2-3-9-14(13)15/h2-12H,1H3.
What are the key properties of 4-methyl-2-naphthalen-1-yl-1-nitrosoimidazo[1,2-a]benzimidazole?
4-methyl-2-naphthalen-1-yl-1-nitrosoimidazo[1,2-a]benzimidazole has a molecular weight of 326.36 g/mol, XLogP of 5.04, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-naphthalen-1-yl-1-nitrosoimidazo[1,2-a]benzimidazole is sourced from PubChem (CID 3699438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).