10-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-6-hydroxy-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione

C24H21N5O5 — CID 71707045

IUPAC10-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-6-hydroxy-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione
SMILESCC(C)n1[nH]c(=O)c2c(-c3ccc4c(c3)n(C)c(=O)n4C)c3oc4c(O)c(=O)ccc4c3[nH]c21
InChIInChI=1S/C24H21N5O5/c1-10(2)29-22-17(23(32)26-29)16(11-5-7-13-14(9-11)28(4)24(33)27(13)3)21-18(25-22)12-6-8-15(30)19(31)20(12)34-21/h5-10,25,31H,1-4H3,(H,26,32)
InChIKeyBFCDWZOZNNUGMN-UHFFFAOYSA-N
MW459.46 g/mol
LogP3.06
Rot. Bonds2

About 10-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-6-hydroxy-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione

10-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-6-hydroxy-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione (PubChem CID 71707045) has the molecular formula C24H21N5O5 and a molecular weight of 459.46 g/mol. Its IUPAC name is 10-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-6-hydroxy-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione.

Molecular Properties

Compound Name10-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-6-hydroxy-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione
PubChem CID71707045
Molecular FormulaC24H21N5O5
Molecular Weight459.46 g/mol
Exact Mass459.15
IUPAC Name10-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-6-hydroxy-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione
SMILESCC(C)n1[nH]c(=O)c2c(-c3ccc4c(c3)n(C)c(=O)n4C)c3oc4c(O)c(=O)ccc4c3[nH]c21
InChIInChI=1S/C24H21N5O5/c1-10(2)29-22-17(23(32)26-29)16(11-5-7-13-14(9-11)28(4)24(33)27(13)3)21-18(25-22)12-6-8-15(30)19(31)20(12)34-21/h5-10,25,31H,1-4H3,(H,26,32)
InChIKeyBFCDWZOZNNUGMN-UHFFFAOYSA-N
XLogP3.06
TPSA130.95 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.46
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 10-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-6-hydroxy-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 10-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-6-hydroxy-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione?
The IUPAC name of 10-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-6-hydroxy-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione (CID 71707045) is 10-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-6-hydroxy-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione.
What is the SMILES notation for 10-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-6-hydroxy-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione?
The canonical SMILES for 10-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-6-hydroxy-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione is CC(C)n1[nH]c(=O)c2c(-c3ccc4c(c3)n(C)c(=O)n4C)c3oc4c(O)c(=O)ccc4c3[nH]c21.
What is the InChIKey of 10-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-6-hydroxy-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione?
The InChIKey is BFCDWZOZNNUGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O5/c1-10(2)29-22-17(23(32)26-29)16(11-5-7-13-14(9-11)28(4)24(33)27(13)3)21-18(25-22)12-6-8-15(30)19(31)20(12)34-21/h5-10,25,31H,1-4H3,(H,26,32).
What are the key properties of 10-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-6-hydroxy-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione?
10-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-6-hydroxy-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione has a molecular weight of 459.46 g/mol, XLogP of 3.06, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-6-hydroxy-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11(15)-pentaene-5,12-dione is sourced from PubChem (CID 71707045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).