4-[4-(2-methylbenzimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine

C19H23N7O2 — CID 11955693

IUPAC4-[4-(2-methylbenzimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
SMILESCc1nc2ccccc2n1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C19H23N7O2/c1-14-20-15-4-2-3-5-16(15)26(14)19-22-17(24-6-10-27-11-7-24)21-18(23-19)25-8-12-28-13-9-25/h2-5H,6-13H2,1H3
InChIKeyJEDLLKZKXSMSBV-UHFFFAOYSA-N
MW381.44 g/mol
LogP1.19
Rot. Bonds3

About 4-[4-(2-methylbenzimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine

4-[4-(2-methylbenzimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine (PubChem CID 11955693) has the molecular formula C19H23N7O2 and a molecular weight of 381.44 g/mol. Its IUPAC name is 4-[4-(2-methylbenzimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(2-methylbenzimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
PubChem CID11955693
Molecular FormulaC19H23N7O2
Molecular Weight381.44 g/mol
Exact Mass381.19
IUPAC Name4-[4-(2-methylbenzimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
SMILESCc1nc2ccccc2n1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C19H23N7O2/c1-14-20-15-4-2-3-5-16(15)26(14)19-22-17(24-6-10-27-11-7-24)21-18(23-19)25-8-12-28-13-9-25/h2-5H,6-13H2,1H3
InChIKeyJEDLLKZKXSMSBV-UHFFFAOYSA-N
XLogP1.19
TPSA81.43 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methylbenzimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine?
The IUPAC name of 4-[4-(2-methylbenzimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine (CID 11955693) is 4-[4-(2-methylbenzimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(2-methylbenzimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine?
The canonical SMILES for 4-[4-(2-methylbenzimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine is Cc1nc2ccccc2n1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1.
What is the InChIKey of 4-[4-(2-methylbenzimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine?
The InChIKey is JEDLLKZKXSMSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N7O2/c1-14-20-15-4-2-3-5-16(15)26(14)19-22-17(24-6-10-27-11-7-24)21-18(23-19)25-8-12-28-13-9-25/h2-5H,6-13H2,1H3.
What are the key properties of 4-[4-(2-methylbenzimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine?
4-[4-(2-methylbenzimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine has a molecular weight of 381.44 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methylbenzimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine is sourced from PubChem (CID 11955693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).