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

C24H16N2O — CID 176787685

IUPAC1-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
SMILESCn1ccnc1-c1cccc2c1oc1ccc3c4ccccc4ccc3c12
InChIInChI=1S/C24H16N2O/c1-26-14-13-25-24(26)20-8-4-7-19-22-18-10-9-15-5-2-3-6-16(15)17(18)11-12-21(22)27-23(19)20/h2-14H,1H3
InChIKeyONJLHSCUKQAGOZ-UHFFFAOYSA-N
MW348.41 g/mol
LogP6.29
Rot. Bonds1

About 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

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 (PubChem CID 176787685) has the molecular formula C24H16N2O and a molecular weight of 348.41 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-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
PubChem CID176787685
Molecular FormulaC24H16N2O
Molecular Weight348.41 g/mol
Exact Mass348.13
IUPAC Name1-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
SMILESCn1ccnc1-c1cccc2c1oc1ccc3c4ccccc4ccc3c12
InChIInChI=1S/C24H16N2O/c1-26-14-13-25-24(26)20-8-4-7-19-22-18-10-9-15-5-2-3-6-16(15)17(18)11-12-21(22)27-23(19)20/h2-14H,1H3
InChIKeyONJLHSCUKQAGOZ-UHFFFAOYSA-N
XLogP6.29
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.41
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

2-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-yl)-1-methylimidazole
CID 176787781
1-methyl-2-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)imidazole
CID 170111816
8-(1-methylimidazol-2-yl)-2-propan-2-yl-[1]benzofuro[2,3-b]pyridine
CID 129021174
4-[6-(1-methylimidazol-2-yl)dibenzofuran-4-yl]-2,6-diphenylpyrimidine
CID 176787889
7-(2-methylphenyl)naphtho[1,2-b][1]benzofuran
CID 166938715
7-(10-phenylanthracen-9-yl)-12-oxapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene
CID 166831977
2-[2-(3-dibenzofuran-4-ylisoquinolin-1-yl)ethyl]-6-(1-methylimidazol-2-yl)phenol
CID 168843921
4-[2-(2-dibenzofuran-4-ylimidazol-1-yl)ethyl]-1,2,4-triazole
CID 70786983
7-pyridin-2-yl-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-6-ol
CID 153291342
1-(1-methylimidazol-2-yl)isoquinoline
CID 69469686
7-(5-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaenyl)naphtho[1,2-b][1]benzofuran
CID 138664816
7-phenylnaphtho[1,2-b][1]benzofuran
CID 166938823

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cn1ccnc1-c1cccc2c1oc1ccc3c4ccccc4ccc3c12.
What is the InChIKey of 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?
The InChIKey is ONJLHSCUKQAGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N2O/c1-26-14-13-25-24(26)20-8-4-7-19-22-18-10-9-15-5-2-3-6-16(15)17(18)11-12-21(22)27-23(19)20/h2-14H,1H3.
What are the key properties of 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?
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 has a molecular weight of 348.41 g/mol, XLogP of 6.29, 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-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 is sourced from PubChem (CID 176787685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).