4-[4-(2-cyclopropylbenzimidazol-1-yl)-6-(1H-indol-4-yl)-1,3,5-triazin-2-yl]morpholine

C25H23N7O — CID 70254008

IUPAC4-[4-(2-cyclopropylbenzimidazol-1-yl)-6-(1H-indol-4-yl)-1,3,5-triazin-2-yl]morpholine
SMILESc1ccc2c(c1)nc(C1CC1)n2-c1nc(-c2cccc3[nH]ccc23)nc(N2CCOCC2)n1
InChIInChI=1S/C25H23N7O/c1-2-7-21-20(5-1)27-23(16-8-9-16)32(21)25-29-22(18-4-3-6-19-17(18)10-11-26-19)28-24(30-25)31-12-14-33-15-13-31/h1-7,10-11,16,26H,8-9,12-15H2
InChIKeyHFXZMEDJSZUZHQ-UHFFFAOYSA-N
MW437.51 g/mol
LogP4.07
Rot. Bonds4

About 4-[4-(2-cyclopropylbenzimidazol-1-yl)-6-(1H-indol-4-yl)-1,3,5-triazin-2-yl]morpholine

4-[4-(2-cyclopropylbenzimidazol-1-yl)-6-(1H-indol-4-yl)-1,3,5-triazin-2-yl]morpholine (PubChem CID 70254008) has the molecular formula C25H23N7O and a molecular weight of 437.51 g/mol. Its IUPAC name is 4-[4-(2-cyclopropylbenzimidazol-1-yl)-6-(1H-indol-4-yl)-1,3,5-triazin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(2-cyclopropylbenzimidazol-1-yl)-6-(1H-indol-4-yl)-1,3,5-triazin-2-yl]morpholine
PubChem CID70254008
Molecular FormulaC25H23N7O
Molecular Weight437.51 g/mol
Exact Mass437.20
IUPAC Name4-[4-(2-cyclopropylbenzimidazol-1-yl)-6-(1H-indol-4-yl)-1,3,5-triazin-2-yl]morpholine
SMILESc1ccc2c(c1)nc(C1CC1)n2-c1nc(-c2cccc3[nH]ccc23)nc(N2CCOCC2)n1
InChIInChI=1S/C25H23N7O/c1-2-7-21-20(5-1)27-23(16-8-9-16)32(21)25-29-22(18-4-3-6-19-17(18)10-11-26-19)28-24(30-25)31-12-14-33-15-13-31/h1-7,10-11,16,26H,8-9,12-15H2
InChIKeyHFXZMEDJSZUZHQ-UHFFFAOYSA-N
XLogP4.07
TPSA84.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.51
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-cyclopropylbenzimidazol-1-yl)-6-(1H-indol-4-yl)-1,3,5-triazin-2-yl]morpholine?
The IUPAC name of 4-[4-(2-cyclopropylbenzimidazol-1-yl)-6-(1H-indol-4-yl)-1,3,5-triazin-2-yl]morpholine (CID 70254008) is 4-[4-(2-cyclopropylbenzimidazol-1-yl)-6-(1H-indol-4-yl)-1,3,5-triazin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(2-cyclopropylbenzimidazol-1-yl)-6-(1H-indol-4-yl)-1,3,5-triazin-2-yl]morpholine?
The canonical SMILES for 4-[4-(2-cyclopropylbenzimidazol-1-yl)-6-(1H-indol-4-yl)-1,3,5-triazin-2-yl]morpholine is c1ccc2c(c1)nc(C1CC1)n2-c1nc(-c2cccc3[nH]ccc23)nc(N2CCOCC2)n1.
What is the InChIKey of 4-[4-(2-cyclopropylbenzimidazol-1-yl)-6-(1H-indol-4-yl)-1,3,5-triazin-2-yl]morpholine?
The InChIKey is HFXZMEDJSZUZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7O/c1-2-7-21-20(5-1)27-23(16-8-9-16)32(21)25-29-22(18-4-3-6-19-17(18)10-11-26-19)28-24(30-25)31-12-14-33-15-13-31/h1-7,10-11,16,26H,8-9,12-15H2.
What are the key properties of 4-[4-(2-cyclopropylbenzimidazol-1-yl)-6-(1H-indol-4-yl)-1,3,5-triazin-2-yl]morpholine?
4-[4-(2-cyclopropylbenzimidazol-1-yl)-6-(1H-indol-4-yl)-1,3,5-triazin-2-yl]morpholine has a molecular weight of 437.51 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-cyclopropylbenzimidazol-1-yl)-6-(1H-indol-4-yl)-1,3,5-triazin-2-yl]morpholine is sourced from PubChem (CID 70254008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).