(E)-3-(furan-2-yl)-1-[1-[2-(4-methylphenyl)-2-oxoethyl]benzimidazol-2-yl]prop-2-en-1-one

C23H18N2O3 — CID 6478363

IUPAC(E)-3-(furan-2-yl)-1-[1-[2-(4-methylphenyl)-2-oxoethyl]benzimidazol-2-yl]prop-2-en-1-one
SMILESCc1ccc(C(=O)Cn2c(C(=O)/C=C/c3ccco3)nc3ccccc32)cc1
InChIInChI=1S/C23H18N2O3/c1-16-8-10-17(11-9-16)22(27)15-25-20-7-3-2-6-19(20)24-23(25)21(26)13-12-18-5-4-14-28-18/h2-14H,15H2,1H3/b13-12+
InChIKeyUHOLCBPFZIRGQR-OUKQBFOZSA-N
MW370.41 g/mol
LogP4.72
Rot. Bonds6

About (E)-3-(furan-2-yl)-1-[1-[2-(4-methylphenyl)-2-oxoethyl]benzimidazol-2-yl]prop-2-en-1-one

(E)-3-(furan-2-yl)-1-[1-[2-(4-methylphenyl)-2-oxoethyl]benzimidazol-2-yl]prop-2-en-1-one (PubChem CID 6478363) has the molecular formula C23H18N2O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-1-[1-[2-(4-methylphenyl)-2-oxoethyl]benzimidazol-2-yl]prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-1-[1-[2-(4-methylphenyl)-2-oxoethyl]benzimidazol-2-yl]prop-2-en-1-one
PubChem CID6478363
Molecular FormulaC23H18N2O3
Molecular Weight370.41 g/mol
Exact Mass370.13
IUPAC Name(E)-3-(furan-2-yl)-1-[1-[2-(4-methylphenyl)-2-oxoethyl]benzimidazol-2-yl]prop-2-en-1-one
SMILESCc1ccc(C(=O)Cn2c(C(=O)/C=C/c3ccco3)nc3ccccc32)cc1
InChIInChI=1S/C23H18N2O3/c1-16-8-10-17(11-9-16)22(27)15-25-20-7-3-2-6-19(20)24-23(25)21(26)13-12-18-5-4-14-28-18/h2-14H,15H2,1H3/b13-12+
InChIKeyUHOLCBPFZIRGQR-OUKQBFOZSA-N
XLogP4.72
TPSA65.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-1-[1-[2-(4-methylphenyl)-2-oxoethyl]benzimidazol-2-yl]-3-phenylprop-2-en-1-one
CID 6260079
(E)-1-[1-[2-(4-methylphenyl)-2-oxoethyl]benzimidazol-2-yl]-3-thiophen-2-ylprop-2-en-1-one
CID 5471214
(E)-1-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]-3-(furan-2-yl)prop-2-en-1-one
CID 175670538
2-(2-methylbenzimidazol-1-yl)-1-(4-methylphenyl)ethanone
CID 39917000
2-[(E)-2-(furan-2-yl)ethenyl]-1-[(4-methylphenyl)methyl]benzimidazole
CID 6155001
(E)-N-[(1-ethylbenzimidazol-2-yl)methyl]-3-(furan-2-yl)-N-methylprop-2-enamide
CID 51096299
2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-1-(4-methylphenyl)ethanone
CID 84571531
4-[[1-[2-(4-methylphenyl)-2-oxoethyl]benzimidazol-2-yl]methoxy]benzoic acid
CID 142221139
(E)-3-(furan-2-yl)-1-(6-methyl-3-pyridinyl)prop-2-en-1-one
CID 5376055
2-[2-(4-chlorobenzoyl)benzimidazol-1-yl]-1-phenylethanone
CID 51032263
N,N-di(butan-2-yl)-2-[2-[(E)-2-(furan-2-yl)ethenyl]benzimidazol-1-yl]acetamide
CID 17000002
1-(4-aminophenyl)-3-(furan-2-yl)prop-2-en-1-one
CID 2859153

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-1-[1-[2-(4-methylphenyl)-2-oxoethyl]benzimidazol-2-yl]prop-2-en-1-one?
The IUPAC name of (E)-3-(furan-2-yl)-1-[1-[2-(4-methylphenyl)-2-oxoethyl]benzimidazol-2-yl]prop-2-en-1-one (CID 6478363) is (E)-3-(furan-2-yl)-1-[1-[2-(4-methylphenyl)-2-oxoethyl]benzimidazol-2-yl]prop-2-en-1-one.
What is the SMILES notation for (E)-3-(furan-2-yl)-1-[1-[2-(4-methylphenyl)-2-oxoethyl]benzimidazol-2-yl]prop-2-en-1-one?
The canonical SMILES for (E)-3-(furan-2-yl)-1-[1-[2-(4-methylphenyl)-2-oxoethyl]benzimidazol-2-yl]prop-2-en-1-one is Cc1ccc(C(=O)Cn2c(C(=O)/C=C/c3ccco3)nc3ccccc32)cc1.
What is the InChIKey of (E)-3-(furan-2-yl)-1-[1-[2-(4-methylphenyl)-2-oxoethyl]benzimidazol-2-yl]prop-2-en-1-one?
The InChIKey is UHOLCBPFZIRGQR-OUKQBFOZSA-N. The full InChI is InChI=1S/C23H18N2O3/c1-16-8-10-17(11-9-16)22(27)15-25-20-7-3-2-6-19(20)24-23(25)21(26)13-12-18-5-4-14-28-18/h2-14H,15H2,1H3/b13-12+.
What are the key properties of (E)-3-(furan-2-yl)-1-[1-[2-(4-methylphenyl)-2-oxoethyl]benzimidazol-2-yl]prop-2-en-1-one?
(E)-3-(furan-2-yl)-1-[1-[2-(4-methylphenyl)-2-oxoethyl]benzimidazol-2-yl]prop-2-en-1-one has a molecular weight of 370.41 g/mol, XLogP of 4.72, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-1-[1-[2-(4-methylphenyl)-2-oxoethyl]benzimidazol-2-yl]prop-2-en-1-one is sourced from PubChem (CID 6478363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).