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

C18H17Br2N3O — CID 2910005

IUPAC1-(3-bromophenyl)-2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)ethanone;hydrobromide
SMILESBr.O=C(CN1C2=NCCCN2c2ccccc21)c1cccc(Br)c1
InChIInChI=1S/C18H16BrN3O.BrH/c19-14-6-3-5-13(11-14)17(23)12-22-16-8-2-1-7-15(16)21-10-4-9-20-18(21)22;/h1-3,5-8,11H,4,9-10,12H2;1H
InChIKeyACTNFHSVRQOVAP-UHFFFAOYSA-N
MW451.16 g/mol
LogP4.30
Rot. Bonds3

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

1-(3-bromophenyl)-2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)ethanone;hydrobromide (PubChem CID 2910005) has the molecular formula C18H17Br2N3O and a molecular weight of 451.16 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)ethanone;hydrobromide.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)ethanone;hydrobromide
PubChem CID2910005
Molecular FormulaC18H17Br2N3O
Molecular Weight451.16 g/mol
Exact Mass448.97
IUPAC Name1-(3-bromophenyl)-2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)ethanone;hydrobromide
SMILESBr.O=C(CN1C2=NCCCN2c2ccccc21)c1cccc(Br)c1
InChIInChI=1S/C18H16BrN3O.BrH/c19-14-6-3-5-13(11-14)17(23)12-22-16-8-2-1-7-15(16)21-10-4-9-20-18(21)22;/h1-3,5-8,11H,4,9-10,12H2;1H
InChIKeyACTNFHSVRQOVAP-UHFFFAOYSA-N
XLogP4.30
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.16
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-Imino-3-methyl-2,3-dihydro-benzoimidazol-1-yl)-1-phenyl-ethanone
CID 2852336
1-(4-Bromophenyl)-2-(2-imino-3-methyl-2,3-dihydro-1H-benzimidazol-1-yl)ethanone
CID 594995
2-(3-allyl-2-imino-2,3-dihydro-1H-benzimidazol-1-yl)-1-phenylethanone hydrobromide
CID 2859255
2-(1,2-Dihydroimidazo[1,2-a]benzimidazol-4-yl)-1-(4-phenylphenyl)ethanone
CID 2853753
1-(4-Bromophenyl)-2-[2-(2-methoxyethylimino)-3-methylbenzimidazol-1-yl]ethanone
CID 17754836
2-(3-amino-2-imino-2,3-dihydro-1H-benzimidazol-1-yl)-1-(4-bromophenyl)ethanone hydrobromide
CID 2849640
1-(4-Bromo-phenyl)-2-(2,3-dihydro-benzo[d]imidazo[1,2-a]imidazol-9-yl)-ethanone
CID 6603329
1-(4-Ethylphenyl)-2-(2-imino-3-methylbenzimidazol-1-yl)ethanone;hydrobromide
CID 90670824
1-(4-Bromophenyl)-2-(3,4-diethyl-2-iminobenzimidazol-1-yl)ethanone
CID 49830847
2-(3-allyl-2-imino-2,3-dihydro-1H-benzimidazol-1-yl)-1-(4-bromophenyl)ethanone
CID 1340477
1-(4-bromophenyl)-2-(2-imino-3-methyl-2,3-dihydro-1H-benzo[d]imidazol-1-yl)ethanone hydrobromide
CID 2851497
2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)-1-(2,5-dimethylphenyl)ethanone;hydrobromide
CID 9550887

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)ethanone;hydrobromide?
The IUPAC name of 1-(3-bromophenyl)-2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)ethanone;hydrobromide (CID 2910005) is 1-(3-bromophenyl)-2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)ethanone;hydrobromide.
What is the SMILES notation for 1-(3-bromophenyl)-2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)ethanone;hydrobromide?
The canonical SMILES for 1-(3-bromophenyl)-2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)ethanone;hydrobromide is Br.O=C(CN1C2=NCCCN2c2ccccc21)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)ethanone;hydrobromide?
The InChIKey is ACTNFHSVRQOVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O.BrH/c19-14-6-3-5-13(11-14)17(23)12-22-16-8-2-1-7-15(16)21-10-4-9-20-18(21)22;/h1-3,5-8,11H,4,9-10,12H2;1H.
What are the key properties of 1-(3-bromophenyl)-2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)ethanone;hydrobromide?
1-(3-bromophenyl)-2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)ethanone;hydrobromide has a molecular weight of 451.16 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-(3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-10-yl)ethanone;hydrobromide is sourced from PubChem (CID 2910005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).