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

C24H21N5O3 — CID 71708141

IUPAC10-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one
SMILESCC(C)n1[nH]cc2c(-c3ccc4c(c3)n(C)c(=O)n4C)c3oc4cc(=O)ccc4c3nc21
InChIInChI=1S/C24H21N5O3/c1-12(2)29-23-16(11-25-29)20(13-5-8-17-18(9-13)28(4)24(31)27(17)3)22-21(26-23)15-7-6-14(30)10-19(15)32-22/h5-12,25H,1-4H3
InChIKeyNIOLHOMLRXCQNZ-UHFFFAOYSA-N
MW427.46 g/mol
LogP4.06
Rot. Bonds2

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

10-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one (PubChem CID 71708141) has the molecular formula C24H21N5O3 and a molecular weight of 427.46 g/mol. Its IUPAC name is 10-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one.

Molecular Properties

Compound Name10-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one
PubChem CID71708141
Molecular FormulaC24H21N5O3
Molecular Weight427.46 g/mol
Exact Mass427.16
IUPAC Name10-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one
SMILESCC(C)n1[nH]cc2c(-c3ccc4c(c3)n(C)c(=O)n4C)c3oc4cc(=O)ccc4c3nc21
InChIInChI=1S/C24H21N5O3/c1-12(2)29-23-16(11-25-29)20(13-5-8-17-18(9-13)28(4)24(31)27(17)3)22-21(26-23)15-7-6-14(30)10-19(15)32-22/h5-12,25H,1-4H3
InChIKeyNIOLHOMLRXCQNZ-UHFFFAOYSA-N
XLogP4.06
TPSA90.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 10-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one?
The IUPAC name of 10-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one (CID 71708141) is 10-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one.
What is the SMILES notation for 10-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one?
The canonical SMILES for 10-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one is CC(C)n1[nH]cc2c(-c3ccc4c(c3)n(C)c(=O)n4C)c3oc4cc(=O)ccc4c3nc21.
What is the InChIKey of 10-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one?
The InChIKey is NIOLHOMLRXCQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O3/c1-12(2)29-23-16(11-25-29)20(13-5-8-17-18(9-13)28(4)24(31)27(17)3)22-21(26-23)15-7-6-14(30)10-19(15)32-22/h5-12,25H,1-4H3.
What are the key properties of 10-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one?
10-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one has a molecular weight of 427.46 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-14-propan-2-yl-8-oxa-13,14,16-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1,3,6,9,11,15-hexaen-5-one is sourced from PubChem (CID 71708141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).