1-(1,3-benzodioxol-5-yl)-2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)ethanol

C19H19N3O3 — CID 649825

IUPAC1-(1,3-benzodioxol-5-yl)-2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)ethanol
SMILESOC(CN1C2=NCCCN2c2ccccc21)c1ccc2c(c1)OCO2
InChIInChI=1S/C19H19N3O3/c23-16(13-6-7-17-18(10-13)25-12-24-17)11-22-15-5-2-1-4-14(15)21-9-3-8-20-19(21)22/h1-2,4-7,10,16,23H,3,8-9,11-12H2
InChIKeyHZFUXWSPQMKYPC-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.54
Rot. Bonds3

About 1-(1,3-benzodioxol-5-yl)-2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)ethanol

1-(1,3-benzodioxol-5-yl)-2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)ethanol (PubChem CID 649825) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)ethanol.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)ethanol
PubChem CID649825
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name1-(1,3-benzodioxol-5-yl)-2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)ethanol
SMILESOC(CN1C2=NCCCN2c2ccccc21)c1ccc2c(c1)OCO2
InChIInChI=1S/C19H19N3O3/c23-16(13-6-7-17-18(10-13)25-12-24-17)11-22-15-5-2-1-4-14(15)21-9-3-8-20-19(21)22/h1-2,4-7,10,16,23H,3,8-9,11-12H2
InChIKeyHZFUXWSPQMKYPC-UHFFFAOYSA-N
XLogP2.54
TPSA57.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(1,3-benzodioxol-5-yl)-2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)ethanol with MolForge

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Related Compounds

(1S)-1-(1,3-benzodioxol-5-yl)-2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)ethanol
CID 948489
1-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)-3-phenoxypropan-2-ol;hydrochloride
CID 6602678
1-(1,3-benzodioxol-5-yl)-2-(4-methyl-1,4-diazepan-1-yl)ethanol
CID 60980183
(1S)-2-amino-1-(1,3-benzodioxol-5-yl)ethanol
CID 6992913
1-(1,3-benzodioxol-5-yl)-2-(4-methylpiperidin-1-yl)ethanol
CID 54944825
(1R)-1-(1,3-benzodioxol-5-yl)-2-chloroethanol
CID 93182688
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
10-[(4-phenylphenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole
CID 155569158
1-(1,3-benzodioxol-5-yl)-2-(3,4-dihydro-2H-quinolin-1-yl)ethanamine
CID 16793669
1-(1,3-benzodioxol-5-yl)-3-phenylpropan-1-ol
CID 18972190
(1S)-1-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-ium-1-yl)ethanol
CID 8005106
1-(1,3-benzodioxol-5-yl)-2-(1,3-benzoxazol-2-yl)ethanol
CID 66461659

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)ethanol?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)ethanol (CID 649825) is 1-(1,3-benzodioxol-5-yl)-2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)ethanol.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)ethanol?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)ethanol is OC(CN1C2=NCCCN2c2ccccc21)c1ccc2c(c1)OCO2.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)ethanol?
The InChIKey is HZFUXWSPQMKYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c23-16(13-6-7-17-18(10-13)25-12-24-17)11-22-15-5-2-1-4-14(15)21-9-3-8-20-19(21)22/h1-2,4-7,10,16,23H,3,8-9,11-12H2.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)ethanol?
1-(1,3-benzodioxol-5-yl)-2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)ethanol has a molecular weight of 337.38 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)ethanol is sourced from PubChem (CID 649825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).