13-(1-methylimidazol-2-yl)-2-oxa-5,23-diazapentacyclo[12.9.0.03,12.04,9.016,22]tricosa-1(23),3(12),4(9),5,7,10,14,16(22)-octaen-15-amine

C24H23N5O — CID 155552305

IUPAC13-(1-methylimidazol-2-yl)-2-oxa-5,23-diazapentacyclo[12.9.0.03,12.04,9.016,22]tricosa-1(23),3(12),4(9),5,7,10,14,16(22)-octaen-15-amine
SMILESCn1ccnc1C1c2ccc3cccnc3c2Oc2nc3c(c(N)c21)CCCCC3
InChIInChI=1S/C24H23N5O/c1-29-13-12-27-23(29)18-16-10-9-14-6-5-11-26-21(14)22(16)30-24-19(18)20(25)15-7-3-2-4-8-17(15)28-24/h5-6,9-13,18H,2-4,7-8H2,1H3,(H2,25,28)
InChIKeyAGZJRAXBRUWPDF-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.50
Rot. Bonds1

About 13-(1-methylimidazol-2-yl)-2-oxa-5,23-diazapentacyclo[12.9.0.03,12.04,9.016,22]tricosa-1(23),3(12),4(9),5,7,10,14,16(22)-octaen-15-amine

13-(1-methylimidazol-2-yl)-2-oxa-5,23-diazapentacyclo[12.9.0.03,12.04,9.016,22]tricosa-1(23),3(12),4(9),5,7,10,14,16(22)-octaen-15-amine (PubChem CID 155552305) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is 13-(1-methylimidazol-2-yl)-2-oxa-5,23-diazapentacyclo[12.9.0.03,12.04,9.016,22]tricosa-1(23),3(12),4(9),5,7,10,14,16(22)-octaen-15-amine.

Molecular Properties

Compound Name13-(1-methylimidazol-2-yl)-2-oxa-5,23-diazapentacyclo[12.9.0.03,12.04,9.016,22]tricosa-1(23),3(12),4(9),5,7,10,14,16(22)-octaen-15-amine
PubChem CID155552305
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC Name13-(1-methylimidazol-2-yl)-2-oxa-5,23-diazapentacyclo[12.9.0.03,12.04,9.016,22]tricosa-1(23),3(12),4(9),5,7,10,14,16(22)-octaen-15-amine
SMILESCn1ccnc1C1c2ccc3cccnc3c2Oc2nc3c(c(N)c21)CCCCC3
InChIInChI=1S/C24H23N5O/c1-29-13-12-27-23(29)18-16-10-9-14-6-5-11-26-21(14)22(16)30-24-19(18)20(25)15-7-3-2-4-8-17(15)28-24/h5-6,9-13,18H,2-4,7-8H2,1H3,(H2,25,28)
InChIKeyAGZJRAXBRUWPDF-UHFFFAOYSA-N
XLogP4.50
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 13-(1-methylimidazol-2-yl)-2-oxa-5,23-diazapentacyclo[12.9.0.03,12.04,9.016,22]tricosa-1(23),3(12),4(9),5,7,10,14,16(22)-octaen-15-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 13-(1-methylimidazol-2-yl)-2-oxa-5,23-diazapentacyclo[12.9.0.03,12.04,9.016,22]tricosa-1(23),3(12),4(9),5,7,10,14,16(22)-octaen-15-amine?
The IUPAC name of 13-(1-methylimidazol-2-yl)-2-oxa-5,23-diazapentacyclo[12.9.0.03,12.04,9.016,22]tricosa-1(23),3(12),4(9),5,7,10,14,16(22)-octaen-15-amine (CID 155552305) is 13-(1-methylimidazol-2-yl)-2-oxa-5,23-diazapentacyclo[12.9.0.03,12.04,9.016,22]tricosa-1(23),3(12),4(9),5,7,10,14,16(22)-octaen-15-amine.
What is the SMILES notation for 13-(1-methylimidazol-2-yl)-2-oxa-5,23-diazapentacyclo[12.9.0.03,12.04,9.016,22]tricosa-1(23),3(12),4(9),5,7,10,14,16(22)-octaen-15-amine?
The canonical SMILES for 13-(1-methylimidazol-2-yl)-2-oxa-5,23-diazapentacyclo[12.9.0.03,12.04,9.016,22]tricosa-1(23),3(12),4(9),5,7,10,14,16(22)-octaen-15-amine is Cn1ccnc1C1c2ccc3cccnc3c2Oc2nc3c(c(N)c21)CCCCC3.
What is the InChIKey of 13-(1-methylimidazol-2-yl)-2-oxa-5,23-diazapentacyclo[12.9.0.03,12.04,9.016,22]tricosa-1(23),3(12),4(9),5,7,10,14,16(22)-octaen-15-amine?
The InChIKey is AGZJRAXBRUWPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O/c1-29-13-12-27-23(29)18-16-10-9-14-6-5-11-26-21(14)22(16)30-24-19(18)20(25)15-7-3-2-4-8-17(15)28-24/h5-6,9-13,18H,2-4,7-8H2,1H3,(H2,25,28).
What are the key properties of 13-(1-methylimidazol-2-yl)-2-oxa-5,23-diazapentacyclo[12.9.0.03,12.04,9.016,22]tricosa-1(23),3(12),4(9),5,7,10,14,16(22)-octaen-15-amine?
13-(1-methylimidazol-2-yl)-2-oxa-5,23-diazapentacyclo[12.9.0.03,12.04,9.016,22]tricosa-1(23),3(12),4(9),5,7,10,14,16(22)-octaen-15-amine has a molecular weight of 397.48 g/mol, XLogP of 4.50, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 13-(1-methylimidazol-2-yl)-2-oxa-5,23-diazapentacyclo[12.9.0.03,12.04,9.016,22]tricosa-1(23),3(12),4(9),5,7,10,14,16(22)-octaen-15-amine is sourced from PubChem (CID 155552305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).