1-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)-3-phenoxypropan-2-ol;hydrochloride

C19H22ClN3O2 — CID 6602678

IUPAC1-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)-3-phenoxypropan-2-ol;hydrochloride
SMILESCl.OC(COc1ccccc1)CN1C2=NCCCN2c2ccccc21
InChIInChI=1S/C19H21N3O2.ClH/c23-15(14-24-16-7-2-1-3-8-16)13-22-18-10-5-4-9-17(18)21-12-6-11-20-19(21)22;/h1-5,7-10,15,23H,6,11-14H2;1H
InChIKeyHOIRJPXBPZCQQT-UHFFFAOYSA-N
MW359.86 g/mol
LogP2.93
Rot. Bonds5

About 1-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)-3-phenoxypropan-2-ol;hydrochloride

1-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)-3-phenoxypropan-2-ol;hydrochloride (PubChem CID 6602678) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)-3-phenoxypropan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)-3-phenoxypropan-2-ol;hydrochloride
PubChem CID6602678
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name1-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)-3-phenoxypropan-2-ol;hydrochloride
SMILESCl.OC(COc1ccccc1)CN1C2=NCCCN2c2ccccc21
InChIInChI=1S/C19H21N3O2.ClH/c23-15(14-24-16-7-2-1-3-8-16)13-22-18-10-5-4-9-17(18)21-12-6-11-20-19(21)22;/h1-5,7-10,15,23H,6,11-14H2;1H
InChIKeyHOIRJPXBPZCQQT-UHFFFAOYSA-N
XLogP2.93
TPSA48.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

10-benzyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole
CID 653244
1-(2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidin-1-yl)-7-phenoxyheptane-2,6-diol
CID 58434448
1-(1,3-benzodioxol-5-yl)-2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)ethanol
CID 649825
(2S)-1-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-3,3-dimethylbutan-2-ol
CID 717649
methyl 2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)acetate bromide
CID 53350757
3-[(2R)-2-hydroxy-3-phenoxypropyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 92794477
2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-1-naphthalen-1-ylethanol;hydrochloride
CID 19040851
1-(1-methyl-3,5-dihydro-2H-1,4-benzodiazepin-4-yl)-3-phenoxypropan-2-ol
CID 71879588
10-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride
CID 90485798
(2R)-1-fluoro-3-phenoxypropan-2-ol
CID 100942917
(2R)-1-phenoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 735579
(2S)-1-phenoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 2062296

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)-3-phenoxypropan-2-ol;hydrochloride?
The IUPAC name of 1-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)-3-phenoxypropan-2-ol;hydrochloride (CID 6602678) is 1-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)-3-phenoxypropan-2-ol;hydrochloride.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)-3-phenoxypropan-2-ol;hydrochloride?
The canonical SMILES for 1-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)-3-phenoxypropan-2-ol;hydrochloride is Cl.OC(COc1ccccc1)CN1C2=NCCCN2c2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)-3-phenoxypropan-2-ol;hydrochloride?
The InChIKey is HOIRJPXBPZCQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2.ClH/c23-15(14-24-16-7-2-1-3-8-16)13-22-18-10-5-4-9-17(18)21-12-6-11-20-19(21)22;/h1-5,7-10,15,23H,6,11-14H2;1H.
What are the key properties of 1-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)-3-phenoxypropan-2-ol;hydrochloride?
1-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)-3-phenoxypropan-2-ol;hydrochloride has a molecular weight of 359.86 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)-3-phenoxypropan-2-ol;hydrochloride is sourced from PubChem (CID 6602678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).