1-(furan-2-yl)-2-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]ethanone;hydrobromide

C19H23BrN4O3 — CID 2881509

IUPAC1-(furan-2-yl)-2-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]ethanone;hydrobromide
SMILESBr.[H]/N=c1\n(CCN2CCOCC2)c2ccccc2n1CC(=O)c1ccco1
InChIInChI=1S/C19H22N4O3.BrH/c20-19-22(8-7-21-9-12-25-13-10-21)15-4-1-2-5-16(15)23(19)14-17(24)18-6-3-11-26-18;/h1-6,11,20H,7-10,12-14H2;1H/b20-19+;
InChIKeyPRSNAVYGRKIBQH-RZLHGTIFSA-N
MW435.32 g/mol
LogP2.31
Rot. Bonds6

About 1-(furan-2-yl)-2-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]ethanone;hydrobromide

1-(furan-2-yl)-2-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]ethanone;hydrobromide (PubChem CID 2881509) has the molecular formula C19H23BrN4O3 and a molecular weight of 435.32 g/mol. Its IUPAC name is 1-(furan-2-yl)-2-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]ethanone;hydrobromide.

Molecular Properties

Compound Name1-(furan-2-yl)-2-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]ethanone;hydrobromide
PubChem CID2881509
Molecular FormulaC19H23BrN4O3
Molecular Weight435.32 g/mol
Exact Mass434.10
IUPAC Name1-(furan-2-yl)-2-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]ethanone;hydrobromide
SMILESBr.[H]/N=c1\n(CCN2CCOCC2)c2ccccc2n1CC(=O)c1ccco1
InChIInChI=1S/C19H22N4O3.BrH/c20-19-22(8-7-21-9-12-25-13-10-21)15-4-1-2-5-16(15)23(19)14-17(24)18-6-3-11-26-18;/h1-6,11,20H,7-10,12-14H2;1H/b20-19+;
InChIKeyPRSNAVYGRKIBQH-RZLHGTIFSA-N
XLogP2.31
TPSA76.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.32
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3-benzyl-2-iminobenzimidazol-1-yl)-1-(furan-2-yl)ethanone
CID 742705
1-(2-morpholin-4-ylethyl)-3-(2-phenylethyl)benzimidazol-2-imine;hydrobromide
CID 163329418
2-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]-1-(4-methylphenyl)ethanone
CID 1125264
2-(3-ethyl-2-iminobenzimidazol-1-yl)-1-(furan-2-yl)ethanone
CID 648019
1-(furan-2-yl)-2-[2-imino-3-(2-pyrrolidin-1-ium-1-ylethyl)benzimidazol-1-yl]ethanone
CID 3914531
4-[2-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]acetyl]benzonitrile;hydrobromide
CID 163331898
(1R)-1-(furan-2-yl)-2-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]ethanol
CID 1111790
2-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]-1-(3-nitrophenyl)ethanone bromide
CID 53352017
1-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]-3-methylbutan-2-one
CID 72550075
1-cyclohexyl-2-[2-imino-3-(2-piperidin-1-ylethyl)benzimidazol-1-yl]ethanone
CID 72549860
1-[2-(4-methylphenoxy)ethyl]-3-(2-morpholin-4-ylethyl)benzimidazol-2-imine
CID 1259026
1-(3,4-dimethoxyphenyl)-2-[2-imino-3-(2-pyrrolidin-1-ylethyl)benzimidazol-1-yl]ethanone;hydrobromide
CID 44889168

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-2-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]ethanone;hydrobromide?
The IUPAC name of 1-(furan-2-yl)-2-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]ethanone;hydrobromide (CID 2881509) is 1-(furan-2-yl)-2-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]ethanone;hydrobromide.
What is the SMILES notation for 1-(furan-2-yl)-2-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]ethanone;hydrobromide?
The canonical SMILES for 1-(furan-2-yl)-2-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]ethanone;hydrobromide is Br.[H]/N=c1\n(CCN2CCOCC2)c2ccccc2n1CC(=O)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-2-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]ethanone;hydrobromide?
The InChIKey is PRSNAVYGRKIBQH-RZLHGTIFSA-N. The full InChI is InChI=1S/C19H22N4O3.BrH/c20-19-22(8-7-21-9-12-25-13-10-21)15-4-1-2-5-16(15)23(19)14-17(24)18-6-3-11-26-18;/h1-6,11,20H,7-10,12-14H2;1H/b20-19+;.
What are the key properties of 1-(furan-2-yl)-2-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]ethanone;hydrobromide?
1-(furan-2-yl)-2-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]ethanone;hydrobromide has a molecular weight of 435.32 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-2-[2-imino-3-(2-morpholin-4-ylethyl)benzimidazol-1-yl]ethanone;hydrobromide is sourced from PubChem (CID 2881509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).