7,16-bis(1H-imidazol-2-yl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane

C18H30N6O4 — CID 45278194

IUPAC7,16-bis(1H-imidazol-2-yl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
SMILESc1c[nH]c(N2CCOCCOCCN(c3ncc[nH]3)CCOCCOCC2)n1
InChIInChI=1S/C18H30N6O4/c1-2-20-17(19-1)23-5-9-25-13-15-27-11-7-24(18-21-3-4-22-18)8-12-28-16-14-26-10-6-23/h1-4H,5-16H2,(H,19,20)(H,21,22)
InChIKeyMWNMWXBCAYMHIQ-UHFFFAOYSA-N
MW394.48 g/mol
LogP0.53
Rot. Bonds2

About 7,16-bis(1H-imidazol-2-yl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane

7,16-bis(1H-imidazol-2-yl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane (PubChem CID 45278194) has the molecular formula C18H30N6O4 and a molecular weight of 394.48 g/mol. Its IUPAC name is 7,16-bis(1H-imidazol-2-yl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane.

Molecular Properties

Compound Name7,16-bis(1H-imidazol-2-yl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
PubChem CID45278194
Molecular FormulaC18H30N6O4
Molecular Weight394.48 g/mol
Exact Mass394.23
IUPAC Name7,16-bis(1H-imidazol-2-yl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
SMILESc1c[nH]c(N2CCOCCOCCN(c3ncc[nH]3)CCOCCOCC2)n1
InChIInChI=1S/C18H30N6O4/c1-2-20-17(19-1)23-5-9-25-13-15-27-11-7-24(18-21-3-4-22-18)8-12-28-16-14-26-10-6-23/h1-4H,5-16H2,(H,19,20)(H,21,22)
InChIKeyMWNMWXBCAYMHIQ-UHFFFAOYSA-N
XLogP0.53
TPSA100.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7,16-bis(1H-imidazol-2-yl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane?
The IUPAC name of 7,16-bis(1H-imidazol-2-yl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane (CID 45278194) is 7,16-bis(1H-imidazol-2-yl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane.
What is the SMILES notation for 7,16-bis(1H-imidazol-2-yl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane?
The canonical SMILES for 7,16-bis(1H-imidazol-2-yl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane is c1c[nH]c(N2CCOCCOCCN(c3ncc[nH]3)CCOCCOCC2)n1.
What is the InChIKey of 7,16-bis(1H-imidazol-2-yl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane?
The InChIKey is MWNMWXBCAYMHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N6O4/c1-2-20-17(19-1)23-5-9-25-13-15-27-11-7-24(18-21-3-4-22-18)8-12-28-16-14-26-10-6-23/h1-4H,5-16H2,(H,19,20)(H,21,22).
What are the key properties of 7,16-bis(1H-imidazol-2-yl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane?
7,16-bis(1H-imidazol-2-yl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane has a molecular weight of 394.48 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7,16-bis(1H-imidazol-2-yl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane is sourced from PubChem (CID 45278194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).