1-(1H-imidazol-2-yl)-2-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)ethanol

C19H23N5O — CID 118011588

IUPAC1-(1H-imidazol-2-yl)-2-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)ethanol
SMILESCc1cnc2c(c1)c1c(n2CC(O)c2ncc[nH]2)CCN2CCCC12
InChIInChI=1S/C19H23N5O/c1-12-9-13-17-14-3-2-7-23(14)8-4-15(17)24(19(13)22-10-12)11-16(25)18-20-5-6-21-18/h5-6,9-10,14,16,25H,2-4,7-8,11H2,1H3,(H,20,21)
InChIKeyCYGCCROFVMGBRP-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.49
Rot. Bonds3

About 1-(1H-imidazol-2-yl)-2-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)ethanol

1-(1H-imidazol-2-yl)-2-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)ethanol (PubChem CID 118011588) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 1-(1H-imidazol-2-yl)-2-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)ethanol.

Molecular Properties

Compound Name1-(1H-imidazol-2-yl)-2-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)ethanol
PubChem CID118011588
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name1-(1H-imidazol-2-yl)-2-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)ethanol
SMILESCc1cnc2c(c1)c1c(n2CC(O)c2ncc[nH]2)CCN2CCCC12
InChIInChI=1S/C19H23N5O/c1-12-9-13-17-14-3-2-7-23(14)8-4-15(17)24(19(13)22-10-12)11-16(25)18-20-5-6-21-18/h5-6,9-10,14,16,25H,2-4,7-8,11H2,1H3,(H,20,21)
InChIKeyCYGCCROFVMGBRP-UHFFFAOYSA-N
XLogP2.49
TPSA69.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(1H-imidazol-2-yl)-2-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-2-yl)-2-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)ethanol?
The IUPAC name of 1-(1H-imidazol-2-yl)-2-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)ethanol (CID 118011588) is 1-(1H-imidazol-2-yl)-2-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)ethanol.
What is the SMILES notation for 1-(1H-imidazol-2-yl)-2-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)ethanol?
The canonical SMILES for 1-(1H-imidazol-2-yl)-2-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)ethanol is Cc1cnc2c(c1)c1c(n2CC(O)c2ncc[nH]2)CCN2CCCC12.
What is the InChIKey of 1-(1H-imidazol-2-yl)-2-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)ethanol?
The InChIKey is CYGCCROFVMGBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-12-9-13-17-14-3-2-7-23(14)8-4-15(17)24(19(13)22-10-12)11-16(25)18-20-5-6-21-18/h5-6,9-10,14,16,25H,2-4,7-8,11H2,1H3,(H,20,21).
What are the key properties of 1-(1H-imidazol-2-yl)-2-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)ethanol?
1-(1H-imidazol-2-yl)-2-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)ethanol has a molecular weight of 337.43 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-2-yl)-2-(14-methyl-6,10,12-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),11(16),12,14-tetraen-10-yl)ethanol is sourced from PubChem (CID 118011588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).