2-methyl-1-(8-methyldibenzofuran-2-yl)benzimidazole

C21H16N2O — CID 122468290

IUPAC2-methyl-1-(8-methyldibenzofuran-2-yl)benzimidazole
SMILESCc1ccc2oc3ccc(-n4c(C)nc5ccccc54)cc3c2c1
InChIInChI=1S/C21H16N2O/c1-13-7-9-20-16(11-13)17-12-15(8-10-21(17)24-20)23-14(2)22-18-5-3-4-6-19(18)23/h3-12H,1-2H3
InChIKeyZHYMRTUNFYPGNP-UHFFFAOYSA-N
MW312.37 g/mol
LogP5.54
Rot. Bonds1

About 2-methyl-1-(8-methyldibenzofuran-2-yl)benzimidazole

2-methyl-1-(8-methyldibenzofuran-2-yl)benzimidazole (PubChem CID 122468290) has the molecular formula C21H16N2O and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-methyl-1-(8-methyldibenzofuran-2-yl)benzimidazole.

Molecular Properties

Compound Name2-methyl-1-(8-methyldibenzofuran-2-yl)benzimidazole
PubChem CID122468290
Molecular FormulaC21H16N2O
Molecular Weight312.37 g/mol
Exact Mass312.13
IUPAC Name2-methyl-1-(8-methyldibenzofuran-2-yl)benzimidazole
SMILESCc1ccc2oc3ccc(-n4c(C)nc5ccccc54)cc3c2c1
InChIInChI=1S/C21H16N2O/c1-13-7-9-20-16(11-13)17-12-15(8-10-21(17)24-20)23-14(2)22-18-5-3-4-6-19(18)23/h3-12H,1-2H3
InChIKeyZHYMRTUNFYPGNP-UHFFFAOYSA-N
XLogP5.54
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 ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-carbazol-9-yl-5-(8-methyldibenzofuran-2-yl)benzimidazolo[1,2-a]benzimidazole
CID 118243470
9-dibenzofuran-2-yl-3-methylcarbazole
CID 90211137
1-dibenzofuran-2-yl-2-phenylbenzimidazole
CID 58401031
1-dibenzofuran-2-yl-2-[3-(1-dibenzofuran-2-ylbenzimidazol-2-yl)phenyl]benzimidazole
CID 58037471
1-(10-dibenzofuran-2-ylanthracen-9-yl)-2-methylbenzimidazole
CID 170236795
1-(8-methyldibenzofuran-2-yl)indole;hydrobromide
CID 145083191
8-(18-methyl-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl)-3,8,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 143905779
2-methyl-1-[4-(10-naphtho[2,3-b][1]benzofuran-3-ylanthracen-9-yl)phenyl]benzimidazole
CID 134487962
6-(benzimidazolo[1,2-a]benzimidazol-5-yl)-3-methyl-[1]benzofuro[2,3-b]pyridine
CID 118329801
2-[4-(2,8-dimethyldibenzofuran-4-yl)phenyl]-1-phenylbenzimidazole
CID 58309692
2-(4-carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-9-dibenzofuran-2-yl-7-methylcarbazole
CID 176750740
2-carbazol-9-yl-6-(8-methyldibenzofuran-2-yl)benzimidazolo[1,2-a]benzimidazole;3-carbazol-9-yl-9-(8-methyldibenzofuran-2-yl)carbazole;5-(8-methyldibenzofuran-1-yl)benzimidazolo[1,2-a]benzimidazole;9-(8-methyldibenzofuran-1-yl)carbazole;9-(8-methyldibenzofuran-2-yl)carbazole
CID 157203937

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(8-methyldibenzofuran-2-yl)benzimidazole?
The IUPAC name of 2-methyl-1-(8-methyldibenzofuran-2-yl)benzimidazole (CID 122468290) is 2-methyl-1-(8-methyldibenzofuran-2-yl)benzimidazole.
What is the SMILES notation for 2-methyl-1-(8-methyldibenzofuran-2-yl)benzimidazole?
The canonical SMILES for 2-methyl-1-(8-methyldibenzofuran-2-yl)benzimidazole is Cc1ccc2oc3ccc(-n4c(C)nc5ccccc54)cc3c2c1.
What is the InChIKey of 2-methyl-1-(8-methyldibenzofuran-2-yl)benzimidazole?
The InChIKey is ZHYMRTUNFYPGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O/c1-13-7-9-20-16(11-13)17-12-15(8-10-21(17)24-20)23-14(2)22-18-5-3-4-6-19(18)23/h3-12H,1-2H3.
What are the key properties of 2-methyl-1-(8-methyldibenzofuran-2-yl)benzimidazole?
2-methyl-1-(8-methyldibenzofuran-2-yl)benzimidazole has a molecular weight of 312.37 g/mol, XLogP of 5.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(8-methyldibenzofuran-2-yl)benzimidazole is sourced from PubChem (CID 122468290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).