10-(imidazol-1-ylmethyl)-5-methyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),3,5,9,11,13,15-heptaene;hydrochloride

C17H16ClN7 — CID 67549300

IUPAC10-(imidazol-1-ylmethyl)-5-methyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),3,5,9,11,13,15-heptaene;hydrochloride
SMILESCc1ncn2c1Cn1nc(Cn3ccnc3)nc1-c1ccccc1-2.Cl
InChIInChI=1S/C17H15N7.ClH/c1-12-15-8-24-17(20-16(21-24)9-22-7-6-18-10-22)13-4-2-3-5-14(13)23(15)11-19-12;/h2-7,10-11H,8-9H2,1H3;1H
InChIKeyHZRUIHRHMUDZNV-UHFFFAOYSA-N
MW353.82 g/mol
LogP2.47
Rot. Bonds2

About 10-(imidazol-1-ylmethyl)-5-methyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),3,5,9,11,13,15-heptaene;hydrochloride

10-(imidazol-1-ylmethyl)-5-methyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),3,5,9,11,13,15-heptaene;hydrochloride (PubChem CID 67549300) has the molecular formula C17H16ClN7 and a molecular weight of 353.82 g/mol. Its IUPAC name is 10-(imidazol-1-ylmethyl)-5-methyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),3,5,9,11,13,15-heptaene;hydrochloride.

Molecular Properties

Compound Name10-(imidazol-1-ylmethyl)-5-methyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),3,5,9,11,13,15-heptaene;hydrochloride
PubChem CID67549300
Molecular FormulaC17H16ClN7
Molecular Weight353.82 g/mol
Exact Mass353.12
IUPAC Name10-(imidazol-1-ylmethyl)-5-methyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),3,5,9,11,13,15-heptaene;hydrochloride
SMILESCc1ncn2c1Cn1nc(Cn3ccnc3)nc1-c1ccccc1-2.Cl
InChIInChI=1S/C17H15N7.ClH/c1-12-15-8-24-17(20-16(21-24)9-22-7-6-18-10-22)13-4-2-3-5-14(13)23(15)11-19-12;/h2-7,10-11H,8-9H2,1H3;1H
InChIKeyHZRUIHRHMUDZNV-UHFFFAOYSA-N
XLogP2.47
TPSA66.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.82
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 10-(imidazol-1-ylmethyl)-5-methyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),3,5,9,11,13,15-heptaene;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-(imidazol-1-ylmethyl)-5-methyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),3,5,9,11,13,15-heptaene;hydrochloride?
The IUPAC name of 10-(imidazol-1-ylmethyl)-5-methyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),3,5,9,11,13,15-heptaene;hydrochloride (CID 67549300) is 10-(imidazol-1-ylmethyl)-5-methyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),3,5,9,11,13,15-heptaene;hydrochloride.
What is the SMILES notation for 10-(imidazol-1-ylmethyl)-5-methyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),3,5,9,11,13,15-heptaene;hydrochloride?
The canonical SMILES for 10-(imidazol-1-ylmethyl)-5-methyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),3,5,9,11,13,15-heptaene;hydrochloride is Cc1ncn2c1Cn1nc(Cn3ccnc3)nc1-c1ccccc1-2.Cl.
What is the InChIKey of 10-(imidazol-1-ylmethyl)-5-methyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),3,5,9,11,13,15-heptaene;hydrochloride?
The InChIKey is HZRUIHRHMUDZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7.ClH/c1-12-15-8-24-17(20-16(21-24)9-22-7-6-18-10-22)13-4-2-3-5-14(13)23(15)11-19-12;/h2-7,10-11H,8-9H2,1H3;1H.
What are the key properties of 10-(imidazol-1-ylmethyl)-5-methyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),3,5,9,11,13,15-heptaene;hydrochloride?
10-(imidazol-1-ylmethyl)-5-methyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),3,5,9,11,13,15-heptaene;hydrochloride has a molecular weight of 353.82 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(imidazol-1-ylmethyl)-5-methyl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),3,5,9,11,13,15-heptaene;hydrochloride is sourced from PubChem (CID 67549300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).