(E)-3-(1-benzylbenzimidazol-2-yl)-1-(4-hydroxyphenyl)prop-2-en-1-one

C23H18N2O2 — CID 6229074

IUPAC(E)-3-(1-benzylbenzimidazol-2-yl)-1-(4-hydroxyphenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1nc2ccccc2n1Cc1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C23H18N2O2/c26-19-12-10-18(11-13-19)22(27)14-15-23-24-20-8-4-5-9-21(20)25(23)16-17-6-2-1-3-7-17/h1-15,26H,16H2/b15-14+
InChIKeyBMGFKTVUCXVHQX-CCEZHUSRSA-N
MW354.41 g/mol
LogP4.69
Rot. Bonds5

About (E)-3-(1-benzylbenzimidazol-2-yl)-1-(4-hydroxyphenyl)prop-2-en-1-one

(E)-3-(1-benzylbenzimidazol-2-yl)-1-(4-hydroxyphenyl)prop-2-en-1-one (PubChem CID 6229074) has the molecular formula C23H18N2O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is (E)-3-(1-benzylbenzimidazol-2-yl)-1-(4-hydroxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(1-benzylbenzimidazol-2-yl)-1-(4-hydroxyphenyl)prop-2-en-1-one
PubChem CID6229074
Molecular FormulaC23H18N2O2
Molecular Weight354.41 g/mol
Exact Mass354.14
IUPAC Name(E)-3-(1-benzylbenzimidazol-2-yl)-1-(4-hydroxyphenyl)prop-2-en-1-one
SMILESO=C(/C=C/c1nc2ccccc2n1Cc1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C23H18N2O2/c26-19-12-10-18(11-13-19)22(27)14-15-23-24-20-8-4-5-9-21(20)25(23)16-17-6-2-1-3-7-17/h1-15,26H,16H2/b15-14+
InChIKeyBMGFKTVUCXVHQX-CCEZHUSRSA-N
XLogP4.69
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-2-[2-(2-chlorophenyl)ethenyl]benzimidazole
CID 3805871
1-[(4-fluorophenyl)methyl]-2-[(E)-2-phenylethenyl]benzimidazole
CID 5293113
(E)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-3-phenylprop-2-en-1-one
CID 175670593
2-[2-(4-chlorophenyl)ethenyl]-1-[(4-chlorophenyl)methyl]benzimidazole
CID 3719210
(E)-1-phenyl-3-[1-(1-phenylethyl)benzimidazol-2-yl]prop-2-en-1-one
CID 43826344
2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[1-(4-hydroxyphenyl)propylideneamino]acetamide
CID 4310801
4-[(2-methylbenzimidazol-1-yl)methyl]benzoic acid
CID 6498814
(E)-1-(1-benzylbenzimidazol-2-yl)-3-(3-methoxyphenyl)prop-2-en-1-one
CID 177248540
3-(1-benzyltriazol-4-yl)-1-phenylprop-2-en-1-one
CID 171149279
(E)-1,2-bis(1-benzylbenzimidazol-2-yl)ethene-1,2-diol
CID 3113691
(E)-3-[4-[(1-benzylbenzimidazol-2-yl)methyl]phenyl]prop-2-enoic acid
CID 58740516
1,3-bis(4-hydroxyphenyl)prop-2-en-1-one;3-(4-hydroxyphenyl)-1-phenylprop-2-en-1-one
CID 67873183

Frequently Asked Questions

What is the IUPAC name of (E)-3-(1-benzylbenzimidazol-2-yl)-1-(4-hydroxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-3-(1-benzylbenzimidazol-2-yl)-1-(4-hydroxyphenyl)prop-2-en-1-one (CID 6229074) is (E)-3-(1-benzylbenzimidazol-2-yl)-1-(4-hydroxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(1-benzylbenzimidazol-2-yl)-1-(4-hydroxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(1-benzylbenzimidazol-2-yl)-1-(4-hydroxyphenyl)prop-2-en-1-one is O=C(/C=C/c1nc2ccccc2n1Cc1ccccc1)c1ccc(O)cc1.
What is the InChIKey of (E)-3-(1-benzylbenzimidazol-2-yl)-1-(4-hydroxyphenyl)prop-2-en-1-one?
The InChIKey is BMGFKTVUCXVHQX-CCEZHUSRSA-N. The full InChI is InChI=1S/C23H18N2O2/c26-19-12-10-18(11-13-19)22(27)14-15-23-24-20-8-4-5-9-21(20)25(23)16-17-6-2-1-3-7-17/h1-15,26H,16H2/b15-14+.
What are the key properties of (E)-3-(1-benzylbenzimidazol-2-yl)-1-(4-hydroxyphenyl)prop-2-en-1-one?
(E)-3-(1-benzylbenzimidazol-2-yl)-1-(4-hydroxyphenyl)prop-2-en-1-one has a molecular weight of 354.41 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1-benzylbenzimidazol-2-yl)-1-(4-hydroxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 6229074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).