(E)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-3-phenylprop-2-en-1-one

C23H17FN2O — CID 175670593

IUPAC(E)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-3-phenylprop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1)c1nc2ccccc2n1Cc1ccc(F)cc1
InChIInChI=1S/C23H17FN2O/c24-19-13-10-18(11-14-19)16-26-21-9-5-4-8-20(21)25-23(26)22(27)15-12-17-6-2-1-3-7-17/h1-15H,16H2/b15-12+
InChIKeySHZDHMLKBIOOEF-NTCAYCPXSA-N
MW356.40 g/mol
LogP5.12
Rot. Bonds5

About (E)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-3-phenylprop-2-en-1-one

(E)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-3-phenylprop-2-en-1-one (PubChem CID 175670593) has the molecular formula C23H17FN2O and a molecular weight of 356.40 g/mol. Its IUPAC name is (E)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-3-phenylprop-2-en-1-one
PubChem CID175670593
Molecular FormulaC23H17FN2O
Molecular Weight356.40 g/mol
Exact Mass356.13
IUPAC Name(E)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-3-phenylprop-2-en-1-one
SMILESO=C(/C=C/c1ccccc1)c1nc2ccccc2n1Cc1ccc(F)cc1
InChIInChI=1S/C23H17FN2O/c24-19-13-10-18(11-14-19)16-26-21-9-5-4-8-20(21)25-23(26)22(27)15-12-17-6-2-1-3-7-17/h1-15H,16H2/b15-12+
InChIKeySHZDHMLKBIOOEF-NTCAYCPXSA-N
XLogP5.12
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.40
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-3-(4-methoxyphenyl)prop-2-en-1-one
CID 175670562
(E)-3-(3-bromophenyl)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]prop-2-en-1-one
CID 175678303
1-[(4-fluorophenyl)methyl]-2-[(E)-2-phenylethenyl]benzimidazole
CID 5293113
(E)-1-(1-benzylbenzimidazol-2-yl)-3-(3-methoxyphenyl)prop-2-en-1-one
CID 177248540
(E)-1-[1-[2-(4-methylphenyl)-2-oxoethyl]benzimidazol-2-yl]-3-phenylprop-2-en-1-one
CID 6260079
(E)-1-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]-3-(furan-2-yl)prop-2-en-1-one
CID 175670538
(E)-3-[4-[(1-benzylbenzimidazol-2-yl)methyl]phenyl]prop-2-enoic acid
CID 58740516
(E)-1,2-bis(1-benzylbenzimidazol-2-yl)ethene-1,2-diol
CID 3113691
N-(4-fluorophenyl)-2-[2-(2-phenylethenyl)benzimidazol-1-yl]acetamide
CID 4582397
(E)-N-[2-(1-benzylbenzimidazol-2-yl)ethyl]-3-phenylprop-2-enamide
CID 18888843
2-benzyl-1-[(4-fluorophenyl)methyl]benzimidazole
CID 709541
1-benzyl-2-(1,2,2-trifluoroethenyl)benzimidazole
CID 25242148

Frequently Asked Questions

What is the IUPAC name of (E)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-3-phenylprop-2-en-1-one?
The IUPAC name of (E)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-3-phenylprop-2-en-1-one (CID 175670593) is (E)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-3-phenylprop-2-en-1-one.
What is the SMILES notation for (E)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-3-phenylprop-2-en-1-one?
The canonical SMILES for (E)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-3-phenylprop-2-en-1-one is O=C(/C=C/c1ccccc1)c1nc2ccccc2n1Cc1ccc(F)cc1.
What is the InChIKey of (E)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-3-phenylprop-2-en-1-one?
The InChIKey is SHZDHMLKBIOOEF-NTCAYCPXSA-N. The full InChI is InChI=1S/C23H17FN2O/c24-19-13-10-18(11-14-19)16-26-21-9-5-4-8-20(21)25-23(26)22(27)15-12-17-6-2-1-3-7-17/h1-15H,16H2/b15-12+.
What are the key properties of (E)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-3-phenylprop-2-en-1-one?
(E)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-3-phenylprop-2-en-1-one has a molecular weight of 356.40 g/mol, XLogP of 5.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]-3-phenylprop-2-en-1-one is sourced from PubChem (CID 175670593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).