4-[2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)ethyl]morpholine;1-(2-piperidin-1-ylethyl)-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole

C33H46N8O — CID 157491856

IUPAC4-[2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)ethyl]morpholine;1-(2-piperidin-1-ylethyl)-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole
SMILESc1ccc2c(c1)nc1n2CCCN1CCN1CCCCC1.c1ccc2c(c1)nc1n2CCCN1CCN1CCOCC1
InChIInChI=1S/C17H24N4.C16H22N4O/c1-4-9-19(10-5-1)13-14-20-11-6-12-21-16-8-3-2-7-15(16)18-17(20)21;1-2-5-15-14(4-1)17-16-19(6-3-7-20(15)16)9-8-18-10-12-21-13-11-18/h2-3,7-8H,1,4-6,9-14H2;1-2,4-5H,3,6-13H2
InChIKeyBXJHHASCLQDRRY-UHFFFAOYSA-N
MW570.79 g/mol
LogP4.31
Rot. Bonds6

About 4-[2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)ethyl]morpholine;1-(2-piperidin-1-ylethyl)-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole

4-[2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)ethyl]morpholine;1-(2-piperidin-1-ylethyl)-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole (PubChem CID 157491856) has the molecular formula C33H46N8O and a molecular weight of 570.79 g/mol. Its IUPAC name is 4-[2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)ethyl]morpholine;1-(2-piperidin-1-ylethyl)-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole.

Molecular Properties

Compound Name4-[2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)ethyl]morpholine;1-(2-piperidin-1-ylethyl)-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole
PubChem CID157491856
Molecular FormulaC33H46N8O
Molecular Weight570.79 g/mol
Exact Mass570.38
IUPAC Name4-[2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)ethyl]morpholine;1-(2-piperidin-1-ylethyl)-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole
SMILESc1ccc2c(c1)nc1n2CCCN1CCN1CCCCC1.c1ccc2c(c1)nc1n2CCCN1CCN1CCOCC1
InChIInChI=1S/C17H24N4.C16H22N4O/c1-4-9-19(10-5-1)13-14-20-11-6-12-21-16-8-3-2-7-15(16)18-17(20)21;1-2-5-15-14(4-1)17-16-19(6-3-7-20(15)16)9-8-18-10-12-21-13-11-18/h2-3,7-8H,1,4-6,9-14H2;1-2,4-5H,3,6-13H2
InChIKeyBXJHHASCLQDRRY-UHFFFAOYSA-N
XLogP4.31
TPSA57.83 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500570.79
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-[2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)ethyl]morpholine;1-(2-piperidin-1-ylethyl)-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)ethyl]morpholine;1-(2-piperidin-1-ylethyl)-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole?
The IUPAC name of 4-[2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)ethyl]morpholine;1-(2-piperidin-1-ylethyl)-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole (CID 157491856) is 4-[2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)ethyl]morpholine;1-(2-piperidin-1-ylethyl)-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole.
What is the SMILES notation for 4-[2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)ethyl]morpholine;1-(2-piperidin-1-ylethyl)-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole?
The canonical SMILES for 4-[2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)ethyl]morpholine;1-(2-piperidin-1-ylethyl)-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole is c1ccc2c(c1)nc1n2CCCN1CCN1CCCCC1.c1ccc2c(c1)nc1n2CCCN1CCN1CCOCC1.
What is the InChIKey of 4-[2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)ethyl]morpholine;1-(2-piperidin-1-ylethyl)-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole?
The InChIKey is BXJHHASCLQDRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4.C16H22N4O/c1-4-9-19(10-5-1)13-14-20-11-6-12-21-16-8-3-2-7-15(16)18-17(20)21;1-2-5-15-14(4-1)17-16-19(6-3-7-20(15)16)9-8-18-10-12-21-13-11-18/h2-3,7-8H,1,4-6,9-14H2;1-2,4-5H,3,6-13H2.
What are the key properties of 4-[2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)ethyl]morpholine;1-(2-piperidin-1-ylethyl)-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole?
4-[2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)ethyl]morpholine;1-(2-piperidin-1-ylethyl)-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole has a molecular weight of 570.79 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)ethyl]morpholine;1-(2-piperidin-1-ylethyl)-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole is sourced from PubChem (CID 157491856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).