11,12-dimethyl-4-[2-(2-methylbenzimidazol-1-yl)ethyl]-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene

C19H18N6O — CID 20927916

IUPAC11,12-dimethyl-4-[2-(2-methylbenzimidazol-1-yl)ethyl]-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESCc1oc2ncn3nc(CCn4c(C)nc5ccccc54)nc3c2c1C
InChIInChI=1S/C19H18N6O/c1-11-12(2)26-19-17(11)18-22-16(23-25(18)10-20-19)8-9-24-13(3)21-14-6-4-5-7-15(14)24/h4-7,10H,8-9H2,1-3H3
InChIKeyBZJOPHICEYPPRN-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.39
Rot. Bonds3

About 11,12-dimethyl-4-[2-(2-methylbenzimidazol-1-yl)ethyl]-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene

11,12-dimethyl-4-[2-(2-methylbenzimidazol-1-yl)ethyl]-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (PubChem CID 20927916) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is 11,12-dimethyl-4-[2-(2-methylbenzimidazol-1-yl)ethyl]-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.

Molecular Properties

Compound Name11,12-dimethyl-4-[2-(2-methylbenzimidazol-1-yl)ethyl]-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
PubChem CID20927916
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC Name11,12-dimethyl-4-[2-(2-methylbenzimidazol-1-yl)ethyl]-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESCc1oc2ncn3nc(CCn4c(C)nc5ccccc54)nc3c2c1C
InChIInChI=1S/C19H18N6O/c1-11-12(2)26-19-17(11)18-22-16(23-25(18)10-20-19)8-9-24-13(3)21-14-6-4-5-7-15(14)24/h4-7,10H,8-9H2,1-3H3
InChIKeyBZJOPHICEYPPRN-UHFFFAOYSA-N
XLogP3.39
TPSA74.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 11,12-dimethyl-4-[2-(2-methylbenzimidazol-1-yl)ethyl]-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene with MolForge

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Related Compounds

[(7R)-4-(5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)-7-methyl-1,4-diazepan-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 24964578
N-methyl-5-[7-(1-methylpyrazol-4-yl)-6-phenoxyimidazo[1,2-b]pyridazin-3-yl]pyridine-3-carboxamide
CID 158365957
2-Methyl-8,9-diphenylfuro[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
CID 666263
US20250145633, Example 725
CID 138635535
US20250145633, Example 734
CID 138635597
US20250145633, Example 733
CID 138635794
11,12-Dimethyl-4-pyridin-4-yl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 20927911
11,12-Dimethyl-4-(3-methylphenoxy)-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 20927917
2-(1H-benzo[d]imidazol-1-yl)-N-(4-(furan-2-yl)-1-methyl-6-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-3-yl)acetamide
CID 136157607
4-(4-Fluorophenyl)-11,12-dimethyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 20899675
4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-11,12-dimethyl-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 20927913
11-[(2-Fluorophenyl)methyl]-4-(furan-2-yl)-3,4,5,7,9,10,12-heptazatricyclo[7.3.0.02,6]dodeca-1(12),2,5,7,10-pentaene
CID 22348365

Frequently Asked Questions

What is the IUPAC name of 11,12-dimethyl-4-[2-(2-methylbenzimidazol-1-yl)ethyl]-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The IUPAC name of 11,12-dimethyl-4-[2-(2-methylbenzimidazol-1-yl)ethyl]-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (CID 20927916) is 11,12-dimethyl-4-[2-(2-methylbenzimidazol-1-yl)ethyl]-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.
What is the SMILES notation for 11,12-dimethyl-4-[2-(2-methylbenzimidazol-1-yl)ethyl]-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The canonical SMILES for 11,12-dimethyl-4-[2-(2-methylbenzimidazol-1-yl)ethyl]-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene is Cc1oc2ncn3nc(CCn4c(C)nc5ccccc54)nc3c2c1C.
What is the InChIKey of 11,12-dimethyl-4-[2-(2-methylbenzimidazol-1-yl)ethyl]-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The InChIKey is BZJOPHICEYPPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O/c1-11-12(2)26-19-17(11)18-22-16(23-25(18)10-20-19)8-9-24-13(3)21-14-6-4-5-7-15(14)24/h4-7,10H,8-9H2,1-3H3.
What are the key properties of 11,12-dimethyl-4-[2-(2-methylbenzimidazol-1-yl)ethyl]-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
11,12-dimethyl-4-[2-(2-methylbenzimidazol-1-yl)ethyl]-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene has a molecular weight of 346.39 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 11,12-dimethyl-4-[2-(2-methylbenzimidazol-1-yl)ethyl]-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene is sourced from PubChem (CID 20927916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).