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

C20H21N3O3 — CID 1118369

IUPAC2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)-1-(3,4-dimethoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)CN2C3=NCCCN3c3ccccc32)cc1OC
InChIInChI=1S/C20H21N3O3/c1-25-18-9-8-14(12-19(18)26-2)17(24)13-23-16-7-4-3-6-15(16)22-11-5-10-21-20(22)23/h3-4,6-9,12H,5,10-11,13H2,1-2H3
InChIKeyJXVDBTMDDYDSRF-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.97
Rot. Bonds5

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

2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)-1-(3,4-dimethoxyphenyl)ethanone (PubChem CID 1118369) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)-1-(3,4-dimethoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)-1-(3,4-dimethoxyphenyl)ethanone
PubChem CID1118369
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)-1-(3,4-dimethoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)CN2C3=NCCCN3c3ccccc32)cc1OC
InChIInChI=1S/C20H21N3O3/c1-25-18-9-8-14(12-19(18)26-2)17(24)13-23-16-7-4-3-6-15(16)22-11-5-10-21-20(22)23/h3-4,6-9,12H,5,10-11,13H2,1-2H3
InChIKeyJXVDBTMDDYDSRF-UHFFFAOYSA-N
XLogP2.97
TPSA54.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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-(3,4-dimethoxyphenyl)ethanone?
The IUPAC name of 2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)-1-(3,4-dimethoxyphenyl)ethanone (CID 1118369) is 2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)-1-(3,4-dimethoxyphenyl)ethanone.
What is the SMILES notation for 2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)-1-(3,4-dimethoxyphenyl)ethanone?
The canonical SMILES for 2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)-1-(3,4-dimethoxyphenyl)ethanone is COc1ccc(C(=O)CN2C3=NCCCN3c3ccccc32)cc1OC.
What is the InChIKey of 2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)-1-(3,4-dimethoxyphenyl)ethanone?
The InChIKey is JXVDBTMDDYDSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-25-18-9-8-14(12-19(18)26-2)17(24)13-23-16-7-4-3-6-15(16)22-11-5-10-21-20(22)23/h3-4,6-9,12H,5,10-11,13H2,1-2H3.
What are the key properties of 2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)-1-(3,4-dimethoxyphenyl)ethanone?
2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)-1-(3,4-dimethoxyphenyl)ethanone has a molecular weight of 351.41 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 6 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-(3,4-dimethoxyphenyl)ethanone is sourced from PubChem (CID 1118369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).