1-methyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)imidazole

C21H16N2O — CID 170111816

IUPAC1-methyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)imidazole
SMILESCc1ccc2c(oc3c4ccccc4ccc23)c1-c1nccn1C
InChIInChI=1S/C21H16N2O/c1-13-7-9-17-16-10-8-14-5-3-4-6-15(14)19(16)24-20(17)18(13)21-22-11-12-23(21)2/h3-12H,1-2H3
InChIKeyXKAPMVCZZNRSOT-UHFFFAOYSA-N
MW312.37 g/mol
LogP5.45
Rot. Bonds1

About 1-methyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)imidazole

1-methyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)imidazole (PubChem CID 170111816) has the molecular formula C21H16N2O and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-methyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)imidazole.

Molecular Properties

Compound Name1-methyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)imidazole
PubChem CID170111816
Molecular FormulaC21H16N2O
Molecular Weight312.37 g/mol
Exact Mass312.13
IUPAC Name1-methyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)imidazole
SMILESCc1ccc2c(oc3c4ccccc4ccc23)c1-c1nccn1C
InChIInChI=1S/C21H16N2O/c1-13-7-9-17-16-10-8-14-5-3-4-6-15(14)19(16)24-20(17)18(13)21-22-11-12-23(21)2/h3-12H,1-2H3
InChIKeyXKAPMVCZZNRSOT-UHFFFAOYSA-N
XLogP5.45
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.37
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

10-methylnaphtho[1,2-b][1]benzofuran
CID 58510874
1-methyl-2-(9-oxapentacyclo[11.8.0.02,10.03,8.014,19]henicosa-1(13),2(10),3(8),4,6,11,14,16,18,20-decaen-7-yl)imidazole
CID 176787685
1-(1-methylimidazol-2-yl)isoquinoline
CID 69469686
1-methyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)-3-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]imidazol-1-ium
CID 167387895
1,5-dimethyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)-4-propan-2-ylpyridin-1-ium
CID 167365073
5-methyl-4-(1-methylnaphthalen-2-yl)-2-naphtho[1,2-b][1]benzofuran-10-ylpyridine
CID 176779290
2-methyl-1-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)imidazo[5,1-b][1,3]benzoxazol-2-ium
CID 166570692
methyl-[(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)methylidene]-phenylazanium;yttrium
CID 177124602
1-methyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)-4-(4-methylphenyl)pyridin-1-ium
CID 157188990
5-methyl-2-naphtho[1,2-b][1]benzofuran-10-yl-4-(2,4,5-trimethylphenyl)pyridine
CID 155785024
methyl-[(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)methylidene]-phenylazanium
CID 177124603
3-methyl-24-oxa-3-azahexacyclo[11.11.0.02,10.04,9.014,23.017,22]tetracosa-1(13),2(10),4,6,8,11,14(23),15,17,19,21-undecaene
CID 166026592

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)imidazole?
The IUPAC name of 1-methyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)imidazole (CID 170111816) is 1-methyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)imidazole.
What is the SMILES notation for 1-methyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)imidazole?
The canonical SMILES for 1-methyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)imidazole is Cc1ccc2c(oc3c4ccccc4ccc23)c1-c1nccn1C.
What is the InChIKey of 1-methyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)imidazole?
The InChIKey is XKAPMVCZZNRSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O/c1-13-7-9-17-16-10-8-14-5-3-4-6-15(14)19(16)24-20(17)18(13)21-22-11-12-23(21)2/h3-12H,1-2H3.
What are the key properties of 1-methyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)imidazole?
1-methyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)imidazole has a molecular weight of 312.37 g/mol, XLogP of 5.45, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)imidazole is sourced from PubChem (CID 170111816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).