N-(1-ethylbenzimidazol-2-yl)-14-methyl-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide

C22H22N6O2 — CID 53242187

IUPACN-(1-ethylbenzimidazol-2-yl)-14-methyl-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide
SMILESCCn1c(NC(=O)c2ccc3cc4n(c3n2)C(C)CCNC4=O)nc2ccccc21
InChIInChI=1S/C22H22N6O2/c1-3-27-17-7-5-4-6-15(17)25-22(27)26-20(29)16-9-8-14-12-18-21(30)23-11-10-13(2)28(18)19(14)24-16/h4-9,12-13H,3,10-11H2,1-2H3,(H,23,30)(H,25,26,29)
InChIKeyJSMQKJNGBBRBMO-UHFFFAOYSA-N
MW402.46 g/mol
LogP3.35
Rot. Bonds3

About N-(1-ethylbenzimidazol-2-yl)-14-methyl-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide

N-(1-ethylbenzimidazol-2-yl)-14-methyl-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide (PubChem CID 53242187) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is N-(1-ethylbenzimidazol-2-yl)-14-methyl-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide.

Molecular Properties

Compound NameN-(1-ethylbenzimidazol-2-yl)-14-methyl-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide
PubChem CID53242187
Molecular FormulaC22H22N6O2
Molecular Weight402.46 g/mol
Exact Mass402.18
IUPAC NameN-(1-ethylbenzimidazol-2-yl)-14-methyl-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide
SMILESCCn1c(NC(=O)c2ccc3cc4n(c3n2)C(C)CCNC4=O)nc2ccccc21
InChIInChI=1S/C22H22N6O2/c1-3-27-17-7-5-4-6-15(17)25-22(27)26-20(29)16-9-8-14-12-18-21(30)23-11-10-13(2)28(18)19(14)24-16/h4-9,12-13H,3,10-11H2,1-2H3,(H,23,30)(H,25,26,29)
InChIKeyJSMQKJNGBBRBMO-UHFFFAOYSA-N
XLogP3.35
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylbenzimidazol-2-yl)-14-methyl-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide?
The IUPAC name of N-(1-ethylbenzimidazol-2-yl)-14-methyl-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide (CID 53242187) is N-(1-ethylbenzimidazol-2-yl)-14-methyl-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide.
What is the SMILES notation for N-(1-ethylbenzimidazol-2-yl)-14-methyl-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide?
The canonical SMILES for N-(1-ethylbenzimidazol-2-yl)-14-methyl-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide is CCn1c(NC(=O)c2ccc3cc4n(c3n2)C(C)CCNC4=O)nc2ccccc21.
What is the InChIKey of N-(1-ethylbenzimidazol-2-yl)-14-methyl-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide?
The InChIKey is JSMQKJNGBBRBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2/c1-3-27-17-7-5-4-6-15(17)25-22(27)26-20(29)16-9-8-14-12-18-21(30)23-11-10-13(2)28(18)19(14)24-16/h4-9,12-13H,3,10-11H2,1-2H3,(H,23,30)(H,25,26,29).
What are the key properties of N-(1-ethylbenzimidazol-2-yl)-14-methyl-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide?
N-(1-ethylbenzimidazol-2-yl)-14-methyl-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide has a molecular weight of 402.46 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylbenzimidazol-2-yl)-14-methyl-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide is sourced from PubChem (CID 53242187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).