18,18-dimethyl-9-(3-methylbenzimidazol-4-yl)-9-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene

C33H25N3 — CID 122464459

IUPAC18,18-dimethyl-9-(3-methylbenzimidazol-4-yl)-9-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
SMILESCn1cnc2cccc(-n3c4ccccc4c4c5c(c6ccccc6c43)C(C)(C)c3ccccc3-5)c21
InChIInChI=1S/C33H25N3/c1-33(2)24-15-8-6-13-22(24)28-29-23-14-7-9-17-26(23)36(27-18-10-16-25-32(27)35(3)19-34-25)31(29)21-12-5-4-11-20(21)30(28)33/h4-19H,1-3H3
InChIKeyQRWJYCHVSDWDBF-UHFFFAOYSA-N
MW463.58 g/mol
LogP8.13
Rot. Bonds1

About 18,18-dimethyl-9-(3-methylbenzimidazol-4-yl)-9-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene

18,18-dimethyl-9-(3-methylbenzimidazol-4-yl)-9-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene (PubChem CID 122464459) has the molecular formula C33H25N3 and a molecular weight of 463.58 g/mol. Its IUPAC name is 18,18-dimethyl-9-(3-methylbenzimidazol-4-yl)-9-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene.

Molecular Properties

Compound Name18,18-dimethyl-9-(3-methylbenzimidazol-4-yl)-9-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
PubChem CID122464459
Molecular FormulaC33H25N3
Molecular Weight463.58 g/mol
Exact Mass463.20
IUPAC Name18,18-dimethyl-9-(3-methylbenzimidazol-4-yl)-9-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
SMILESCn1cnc2cccc(-n3c4ccccc4c4c5c(c6ccccc6c43)C(C)(C)c3ccccc3-5)c21
InChIInChI=1S/C33H25N3/c1-33(2)24-15-8-6-13-22(24)28-29-23-14-7-9-17-26(23)36(27-18-10-16-25-32(27)35(3)19-34-25)31(29)21-12-5-4-11-20(21)30(28)33/h4-19H,1-3H3
InChIKeyQRWJYCHVSDWDBF-UHFFFAOYSA-N
XLogP8.13
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.58
LogP ≤ 58.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 18,18-dimethyl-9-(3-methylbenzimidazol-4-yl)-9-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene with MolForge

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Related Compounds

18,18-dimethyl-9-pyrazin-2-yl-9-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
CID 122464173
18,18-dimethyl-9-(4-phenylquinazolin-2-yl)-9-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
CID 122464922
9-(4-fluoranthen-3-ylphenyl)-18,18-dimethyl-9-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene
CID 118581003
6-(24,24-dimethyl-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaen-9-yl)-1,3-benzothiazole
CID 118502436
9,9-dimethyl-21-phenyl-18-(4-phenylquinazolin-2-yl)-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 118635792
9,9-dimethyl-19-phenyl-19-azaheptacyclo[15.11.0.02,10.03,8.011,16.018,26.020,25]octacosa-1(17),2(10),3,5,7,11,13,15,18(26),20,22,24,27-tridecaene
CID 126737984
9,9-dimethyl-18-phenyl-21-[3-(4-phenylquinazolin-2-yl)phenyl]-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 118635762
9-(3-methylbenzimidazol-4-yl)-24-phenyl-9,24-diazahexacyclo[11.11.0.02,10.03,8.014,23.016,21]tetracosa-1(13),2(10),3,5,7,11,14,16,18,20,22-undecaene
CID 122465314
9,9,21,21-tetramethyl-18-(4-phenylphenyl)-18-azaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 118635504
21-(2,6-diphenylpyrimidin-4-yl)-9,9-dimethyl-18-phenyl-18,21-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 118635765
9-(3-fluoranthen-3-ylphenyl)-24,24-dimethyl-9-azahexacyclo[15.7.0.02,10.03,8.011,16.018,23]tetracosa-1(17),2(10),3,5,7,11,13,15,18,20,22-undecaene
CID 118580989
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-21,21-dimethyl-18-phenyl-9,18-diazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.022,27]heptacosa-1,3,5,7,10,12,14,16,19,22,24,26-dodecaene
CID 118635809

Frequently Asked Questions

What is the IUPAC name of 18,18-dimethyl-9-(3-methylbenzimidazol-4-yl)-9-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene?
The IUPAC name of 18,18-dimethyl-9-(3-methylbenzimidazol-4-yl)-9-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene (CID 122464459) is 18,18-dimethyl-9-(3-methylbenzimidazol-4-yl)-9-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene.
What is the SMILES notation for 18,18-dimethyl-9-(3-methylbenzimidazol-4-yl)-9-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene?
The canonical SMILES for 18,18-dimethyl-9-(3-methylbenzimidazol-4-yl)-9-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene is Cn1cnc2cccc(-n3c4ccccc4c4c5c(c6ccccc6c43)C(C)(C)c3ccccc3-5)c21.
What is the InChIKey of 18,18-dimethyl-9-(3-methylbenzimidazol-4-yl)-9-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene?
The InChIKey is QRWJYCHVSDWDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25N3/c1-33(2)24-15-8-6-13-22(24)28-29-23-14-7-9-17-26(23)36(27-18-10-16-25-32(27)35(3)19-34-25)31(29)21-12-5-4-11-20(21)30(28)33/h4-19H,1-3H3.
What are the key properties of 18,18-dimethyl-9-(3-methylbenzimidazol-4-yl)-9-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene?
18,18-dimethyl-9-(3-methylbenzimidazol-4-yl)-9-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene has a molecular weight of 463.58 g/mol, XLogP of 8.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 18,18-dimethyl-9-(3-methylbenzimidazol-4-yl)-9-azahexacyclo[15.7.0.02,10.03,8.011,16.019,24]tetracosa-1(17),2(10),3,5,7,11,13,15,19,21,23-undecaene is sourced from PubChem (CID 122464459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).