5-imidazol-1-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene

C21H13N3 — CID 164796277

IUPAC5-imidazol-1-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
SMILESc1ccc2c(c1)c1cccc3c4cc(-n5ccnc5)ccc4n2c13
InChIInChI=1S/C21H13N3/c1-2-7-19-15(4-1)16-5-3-6-17-18-12-14(23-11-10-22-13-23)8-9-20(18)24(19)21(16)17/h1-13H
InChIKeyQLBZYJUYBJFEIS-UHFFFAOYSA-N
MW307.36 g/mol
LogP5.02
Rot. Bonds1

About 5-imidazol-1-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene

5-imidazol-1-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene (PubChem CID 164796277) has the molecular formula C21H13N3 and a molecular weight of 307.36 g/mol. Its IUPAC name is 5-imidazol-1-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene.

Molecular Properties

Compound Name5-imidazol-1-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
PubChem CID164796277
Molecular FormulaC21H13N3
Molecular Weight307.36 g/mol
Exact Mass307.11
IUPAC Name5-imidazol-1-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
SMILESc1ccc2c(c1)c1cccc3c4cc(-n5ccnc5)ccc4n2c13
InChIInChI=1S/C21H13N3/c1-2-7-19-15(4-1)16-5-3-6-17-18-12-14(23-11-10-22-13-23)8-9-20(18)24(19)21(16)17/h1-13H
InChIKeyQLBZYJUYBJFEIS-UHFFFAOYSA-N
XLogP5.02
TPSA22.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.36
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-imidazol-1-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene with MolForge

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Related Compounds

4-(3-carbazol-9-ylcarbazol-9-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 118422803
19-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-1,3,5,7,9,11,13,15,17-nonaene
CID 12951299
5-methyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 59221908
33-carbazol-9-yl-1,13,20-triazadecacyclo[18.16.2.12,6.07,12.014,19.021,26.027,38.030,37.031,36.013,39]nonatriaconta-2,4,6(39),7,9,11,14,16,18,21,23,25,27(38),28,30(37),31(36),32,34-octadecaene
CID 162480548
16-carbazol-9-yl-17-(3-carbazol-9-ylcarbazol-9-yl)-20-azaheptacyclo[18.10.1.02,7.08,13.014,19.021,26.027,31]hentriaconta-1(31),2,4,6,8,10,12,14,16,18,21,23,25,27,29-pentadecaene
CID 168811683
9-(3-imidazol-1-ylphenyl)-3,6-diphenylcarbazole
CID 175102153
(30-carbazol-9-yl-8,26-diazanonacyclo[24.10.1.18,15.02,7.09,14.020,25.027,32.033,37.019,38]octatriaconta-1(37),2,4,6,9(14),10,12,15,17,19(38),20,22,24,27(32),28,30,33,35-octadecaen-12-yl)-triphenylsilane
CID 168811390
5-chloro-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 130456935
3,6-ditert-butyl-9-(3-imidazol-1-ylphenyl)carbazole
CID 175094962
1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-yl(triphenyl)silane
CID 59221914
5-[3-(3-phenylphenyl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;5-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;5-[4-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene;5-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 158643632
1-(3-tert-butylphenyl)imidazole
CID 59332766

Frequently Asked Questions

What is the IUPAC name of 5-imidazol-1-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene?
The IUPAC name of 5-imidazol-1-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene (CID 164796277) is 5-imidazol-1-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene.
What is the SMILES notation for 5-imidazol-1-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene?
The canonical SMILES for 5-imidazol-1-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene is c1ccc2c(c1)c1cccc3c4cc(-n5ccnc5)ccc4n2c13.
What is the InChIKey of 5-imidazol-1-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene?
The InChIKey is QLBZYJUYBJFEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13N3/c1-2-7-19-15(4-1)16-5-3-6-17-18-12-14(23-11-10-22-13-23)8-9-20(18)24(19)21(16)17/h1-13H.
What are the key properties of 5-imidazol-1-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene?
5-imidazol-1-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene has a molecular weight of 307.36 g/mol, XLogP of 5.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imidazol-1-yl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene is sourced from PubChem (CID 164796277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).