[(E)-3-phenylprop-2-enyl] 2-(1-methylbenzimidazol-2-yl)-3-phenylpropanoate

C26H24N2O2 — CID 102075734

IUPAC[(E)-3-phenylprop-2-enyl] 2-(1-methylbenzimidazol-2-yl)-3-phenylpropanoate
SMILESCn1c(C(Cc2ccccc2)C(=O)OC/C=C/c2ccccc2)nc2ccccc21
InChIInChI=1S/C26H24N2O2/c1-28-24-17-9-8-16-23(24)27-25(28)22(19-21-13-6-3-7-14-21)26(29)30-18-10-15-20-11-4-2-5-12-20/h2-17,22H,18-19H2,1H3/b15-10+
InChIKeyHIUQVBRKJFAOBF-XNTDXEJSSA-N
MW396.49 g/mol
LogP5.16
Rot. Bonds7

About [(E)-3-phenylprop-2-enyl] 2-(1-methylbenzimidazol-2-yl)-3-phenylpropanoate

[(E)-3-phenylprop-2-enyl] 2-(1-methylbenzimidazol-2-yl)-3-phenylpropanoate (PubChem CID 102075734) has the molecular formula C26H24N2O2 and a molecular weight of 396.49 g/mol. Its IUPAC name is [(E)-3-phenylprop-2-enyl] 2-(1-methylbenzimidazol-2-yl)-3-phenylpropanoate.

Molecular Properties

Compound Name[(E)-3-phenylprop-2-enyl] 2-(1-methylbenzimidazol-2-yl)-3-phenylpropanoate
PubChem CID102075734
Molecular FormulaC26H24N2O2
Molecular Weight396.49 g/mol
Exact Mass396.18
IUPAC Name[(E)-3-phenylprop-2-enyl] 2-(1-methylbenzimidazol-2-yl)-3-phenylpropanoate
SMILESCn1c(C(Cc2ccccc2)C(=O)OC/C=C/c2ccccc2)nc2ccccc21
InChIInChI=1S/C26H24N2O2/c1-28-24-17-9-8-16-23(24)27-25(28)22(19-21-13-6-3-7-14-21)26(29)30-18-10-15-20-11-4-2-5-12-20/h2-17,22H,18-19H2,1H3/b15-10+
InChIKeyHIUQVBRKJFAOBF-XNTDXEJSSA-N
XLogP5.16
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.49
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-hydroxy-2-(1-methylbenzimidazol-2-yl)acetate
CID 83441215
(2S)-2-(1-methylbenzimidazol-2-yl)-3-phenylpropane-1-thiol;2,2,2-trifluoroacetic acid
CID 11165380
N-[(1S)-1-(1-methylbenzimidazol-2-yl)-2-phenylethyl]pyridine-4-carboxamide
CID 110204364
ethyl 3-methyl-2-(1-methylbenzimidazol-2-yl)butanoate
CID 79474556
N-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]-2-phenylacetamide
CID 751118
N-[1-(1-methylbenzimidazol-2-yl)ethyl]-2-phenylacetamide
CID 4082682
[(E)-3-phenylprop-2-enyl] 2-methyl-3-oxobutanoate
CID 14318947
2-(1-methylbenzimidazol-2-yl)-3-pyridin-4-ylpropan-1-amine
CID 83976139
3-amino-2-[(1S)-1-[(Z)-3-phenylprop-2-enoxy]ethyl]quinazolin-4-one
CID 99903211
methane;[(E)-3-phenylprop-2-enyl] acetate
CID 161124319
methane;3-phenylprop-2-enyl acetate
CID 161251880
methyl 2-[[(R)-(1-methylbenzimidazol-2-yl)-phenylmethyl]amino]acetate
CID 99613603

Frequently Asked Questions

What is the IUPAC name of [(E)-3-phenylprop-2-enyl] 2-(1-methylbenzimidazol-2-yl)-3-phenylpropanoate?
The IUPAC name of [(E)-3-phenylprop-2-enyl] 2-(1-methylbenzimidazol-2-yl)-3-phenylpropanoate (CID 102075734) is [(E)-3-phenylprop-2-enyl] 2-(1-methylbenzimidazol-2-yl)-3-phenylpropanoate.
What is the SMILES notation for [(E)-3-phenylprop-2-enyl] 2-(1-methylbenzimidazol-2-yl)-3-phenylpropanoate?
The canonical SMILES for [(E)-3-phenylprop-2-enyl] 2-(1-methylbenzimidazol-2-yl)-3-phenylpropanoate is Cn1c(C(Cc2ccccc2)C(=O)OC/C=C/c2ccccc2)nc2ccccc21.
What is the InChIKey of [(E)-3-phenylprop-2-enyl] 2-(1-methylbenzimidazol-2-yl)-3-phenylpropanoate?
The InChIKey is HIUQVBRKJFAOBF-XNTDXEJSSA-N. The full InChI is InChI=1S/C26H24N2O2/c1-28-24-17-9-8-16-23(24)27-25(28)22(19-21-13-6-3-7-14-21)26(29)30-18-10-15-20-11-4-2-5-12-20/h2-17,22H,18-19H2,1H3/b15-10+.
What are the key properties of [(E)-3-phenylprop-2-enyl] 2-(1-methylbenzimidazol-2-yl)-3-phenylpropanoate?
[(E)-3-phenylprop-2-enyl] 2-(1-methylbenzimidazol-2-yl)-3-phenylpropanoate has a molecular weight of 396.49 g/mol, XLogP of 5.16, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-phenylprop-2-enyl] 2-(1-methylbenzimidazol-2-yl)-3-phenylpropanoate is sourced from PubChem (CID 102075734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).