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

C16H16ClN3O2 — CID 2881350

IUPAC2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)-1-(furan-2-yl)ethanone;hydrochloride
SMILESCl.O=C(CN1C2=NCCCN2c2ccccc21)c1ccco1
InChIInChI=1S/C16H15N3O2.ClH/c20-14(15-7-3-10-21-15)11-19-13-6-2-1-5-12(13)18-9-4-8-17-16(18)19;/h1-3,5-7,10H,4,8-9,11H2;1H
InChIKeyCFRXXFNYWUHYSZ-UHFFFAOYSA-N
MW317.78 g/mol
LogP2.97
Rot. Bonds3

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

2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)-1-(furan-2-yl)ethanone;hydrochloride (PubChem CID 2881350) has the molecular formula C16H16ClN3O2 and a molecular weight of 317.78 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)-1-(furan-2-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)-1-(furan-2-yl)ethanone;hydrochloride
PubChem CID2881350
Molecular FormulaC16H16ClN3O2
Molecular Weight317.78 g/mol
Exact Mass317.09
IUPAC Name2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)-1-(furan-2-yl)ethanone;hydrochloride
SMILESCl.O=C(CN1C2=NCCCN2c2ccccc21)c1ccco1
InChIInChI=1S/C16H15N3O2.ClH/c20-14(15-7-3-10-21-15)11-19-13-6-2-1-5-12(13)18-9-4-8-17-16(18)19;/h1-3,5-7,10H,4,8-9,11H2;1H
InChIKeyCFRXXFNYWUHYSZ-UHFFFAOYSA-N
XLogP2.97
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)-1-phenylethanone
CID 791781
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CID 6603340
2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-1-(4-methylphenyl)ethanone
CID 2980042
2-(1,3-dihydroisoindol-2-yl)-1-(furan-2-yl)ethanone
CID 62206434
10-[(4-phenylphenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole
CID 155569158
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CID 107342739
4-[2-(furan-2-yl)-2-oxoethyl]-2,3-dihydro-1,4-benzoxazepin-5-one
CID 104526112
4-[[5-[2-(furan-2-yl)-2-oxoethyl]-4-oxo-1-phenyl-2,3-dihydro-1,5-benzodiazepin-3-yl]carbamoylamino]benzoic acid
CID 21201767
1-(furan-2-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 62025348
2-[4-(2-benzylsulfanylacetyl)piperazin-1-yl]-1-(furan-2-yl)ethanone;oxalic acid
CID 71780737
1-(furan-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 43228329
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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)-1-(furan-2-yl)ethanone;hydrochloride?
The IUPAC name of 2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)-1-(furan-2-yl)ethanone;hydrochloride (CID 2881350) is 2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)-1-(furan-2-yl)ethanone;hydrochloride.
What is the SMILES notation for 2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)-1-(furan-2-yl)ethanone;hydrochloride?
The canonical SMILES for 2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)-1-(furan-2-yl)ethanone;hydrochloride is Cl.O=C(CN1C2=NCCCN2c2ccccc21)c1ccco1.
What is the InChIKey of 2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)-1-(furan-2-yl)ethanone;hydrochloride?
The InChIKey is CFRXXFNYWUHYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2.ClH/c20-14(15-7-3-10-21-15)11-19-13-6-2-1-5-12(13)18-9-4-8-17-16(18)19;/h1-3,5-7,10H,4,8-9,11H2;1H.
What are the key properties of 2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)-1-(furan-2-yl)ethanone;hydrochloride?
2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)-1-(furan-2-yl)ethanone;hydrochloride has a molecular weight of 317.78 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)-1-(furan-2-yl)ethanone;hydrochloride is sourced from PubChem (CID 2881350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).