2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)-N,N-diethylethanamine;2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)-1-(4-methoxyphenyl)ethanol

C35H45N7O2 — CID 159888833

IUPAC2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)-N,N-diethylethanamine;2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)-1-(4-methoxyphenyl)ethanol
SMILESCCN(CC)CCN1CCCn2c1nc1ccccc12.COc1ccc(C(O)CN2C3=NCCCN3c3ccccc32)cc1
InChIInChI=1S/C19H21N3O2.C16H24N4/c1-24-15-9-7-14(8-10-15)18(23)13-22-17-6-3-2-5-16(17)21-12-4-11-20-19(21)22;1-3-18(4-2)12-13-19-10-7-11-20-15-9-6-5-8-14(15)17-16(19)20/h2-3,5-10,18,23H,4,11-13H2,1H3;5-6,8-9H,3-4,7,10-13H2,1-2H3
InChIKeyNUMGPUMYBNMTER-UHFFFAOYSA-N
MW595.79 g/mol
LogP5.40
Rot. Bonds9

About 2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)-N,N-diethylethanamine;2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)-1-(4-methoxyphenyl)ethanol

2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)-N,N-diethylethanamine;2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)-1-(4-methoxyphenyl)ethanol (PubChem CID 159888833) has the molecular formula C35H45N7O2 and a molecular weight of 595.79 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)-N,N-diethylethanamine;2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)-1-(4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)-N,N-diethylethanamine;2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)-1-(4-methoxyphenyl)ethanol
PubChem CID159888833
Molecular FormulaC35H45N7O2
Molecular Weight595.79 g/mol
Exact Mass595.36
IUPAC Name2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)-N,N-diethylethanamine;2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)-1-(4-methoxyphenyl)ethanol
SMILESCCN(CC)CCN1CCCn2c1nc1ccccc12.COc1ccc(C(O)CN2C3=NCCCN3c3ccccc32)cc1
InChIInChI=1S/C19H21N3O2.C16H24N4/c1-24-15-9-7-14(8-10-15)18(23)13-22-17-6-3-2-5-16(17)21-12-4-11-20-19(21)22;1-3-18(4-2)12-13-19-10-7-11-20-15-9-6-5-8-14(15)17-16(19)20/h2-3,5-10,18,23H,4,11-13H2,1H3;5-6,8-9H,3-4,7,10-13H2,1-2H3
InChIKeyNUMGPUMYBNMTER-UHFFFAOYSA-N
XLogP5.40
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.79
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)-N,N-diethylethanamine;2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)-1-(4-methoxyphenyl)ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)-N,N-diethylethanamine;2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)-1-(4-methoxyphenyl)ethanol?
The IUPAC name of 2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)-N,N-diethylethanamine;2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)-1-(4-methoxyphenyl)ethanol (CID 159888833) is 2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)-N,N-diethylethanamine;2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)-1-(4-methoxyphenyl)ethanol.
What is the SMILES notation for 2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)-N,N-diethylethanamine;2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)-1-(4-methoxyphenyl)ethanol?
The canonical SMILES for 2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)-N,N-diethylethanamine;2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)-1-(4-methoxyphenyl)ethanol is CCN(CC)CCN1CCCn2c1nc1ccccc12.COc1ccc(C(O)CN2C3=NCCCN3c3ccccc32)cc1.
What is the InChIKey of 2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)-N,N-diethylethanamine;2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)-1-(4-methoxyphenyl)ethanol?
The InChIKey is NUMGPUMYBNMTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2.C16H24N4/c1-24-15-9-7-14(8-10-15)18(23)13-22-17-6-3-2-5-16(17)21-12-4-11-20-19(21)22;1-3-18(4-2)12-13-19-10-7-11-20-15-9-6-5-8-14(15)17-16(19)20/h2-3,5-10,18,23H,4,11-13H2,1H3;5-6,8-9H,3-4,7,10-13H2,1-2H3.
What are the key properties of 2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)-N,N-diethylethanamine;2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)-1-(4-methoxyphenyl)ethanol?
2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)-N,N-diethylethanamine;2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)-1-(4-methoxyphenyl)ethanol has a molecular weight of 595.79 g/mol, XLogP of 5.40, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-1-yl)-N,N-diethylethanamine;2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)-1-(4-methoxyphenyl)ethanol is sourced from PubChem (CID 159888833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).