(E)-4-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]-3-[(5-methylfuran-2-yl)methyl]but-3-enoate

C24H26ClN2O3- — CID 19936739

IUPAC(E)-4-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]-3-[(5-methylfuran-2-yl)methyl]but-3-enoate
SMILESCCCCc1ncc(/C=C(/CC(=O)[O-])Cc2ccc(C)o2)n1Cc1ccccc1Cl
InChIInChI=1S/C24H27ClN2O3/c1-3-4-9-23-26-15-20(27(23)16-19-7-5-6-8-22(19)25)12-18(14-24(28)29)13-21-11-10-17(2)30-21/h5-8,10-12,15H,3-4,9,13-14,16H2,1-2H3,(H,28,29)/p-1/b18-12+
InChIKeyQISNJMFGILCEHR-LDADJPATSA-M
MW425.94 g/mol
LogP4.59
Rot. Bonds10

About (E)-4-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]-3-[(5-methylfuran-2-yl)methyl]but-3-enoate

(E)-4-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]-3-[(5-methylfuran-2-yl)methyl]but-3-enoate (PubChem CID 19936739) has the molecular formula C24H26ClN2O3- and a molecular weight of 425.94 g/mol. Its IUPAC name is (E)-4-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]-3-[(5-methylfuran-2-yl)methyl]but-3-enoate.

Molecular Properties

Compound Name(E)-4-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]-3-[(5-methylfuran-2-yl)methyl]but-3-enoate
PubChem CID19936739
Molecular FormulaC24H26ClN2O3-
Molecular Weight425.94 g/mol
Exact Mass425.16
IUPAC Name(E)-4-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]-3-[(5-methylfuran-2-yl)methyl]but-3-enoate
SMILESCCCCc1ncc(/C=C(/CC(=O)[O-])Cc2ccc(C)o2)n1Cc1ccccc1Cl
InChIInChI=1S/C24H27ClN2O3/c1-3-4-9-23-26-15-20(27(23)16-19-7-5-6-8-22(19)25)12-18(14-24(28)29)13-21-11-10-17(2)30-21/h5-8,10-12,15H,3-4,9,13-14,16H2,1-2H3,(H,28,29)/p-1/b18-12+
InChIKeyQISNJMFGILCEHR-LDADJPATSA-M
XLogP4.59
TPSA71.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.94
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (E)-4-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]-3-[(5-methylfuran-2-yl)methyl]but-3-enoate with MolForge

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Launch Full Analysis

Related Compounds

[3-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]-2-[(5-methylfuran-2-yl)methyl]prop-2-enyl] ethyl carbonate
CID 54308680
(Z)-3-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]-2-(furan-2-ylmethyl)prop-2-enoic acid
CID 11741610
methyl (Z)-3-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]-2-(furan-2-ylmethyl)prop-2-enoate
CID 10341627
(E)-3-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]-2-[(4-nitrophenyl)methyl]prop-2-enoic acid
CID 15144940
(2E)-2-[[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]methylidene]-4-phenylbutanoic acid
CID 10410027
methyl (E)-4-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]but-3-enoate
CID 10337714
ethyl (E)-3-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]prop-2-enoate
CID 67849152
2-[(4-aminophenyl)methyl]-3-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]prop-2-enoic acid
CID 54475887
methyl (E)-3-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]-2-[(3,4-dimethoxyphenyl)methyl]prop-2-enoate
CID 10254698
(E)-3-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]-2-[(3,4,5-trimethoxyphenyl)methyl]prop-2-enoic acid
CID 15144936
(E)-2-benzyl-4-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]-3-(thiophen-2-ylmethyl)but-3-enoic acid
CID 67780821
2-benzyl-3-[2-butyl-3-[(2-hydroxyphenyl)methyl]imidazol-4-yl]prop-2-enoic acid
CID 54313391

Frequently Asked Questions

What is the IUPAC name of (E)-4-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]-3-[(5-methylfuran-2-yl)methyl]but-3-enoate?
The IUPAC name of (E)-4-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]-3-[(5-methylfuran-2-yl)methyl]but-3-enoate (CID 19936739) is (E)-4-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]-3-[(5-methylfuran-2-yl)methyl]but-3-enoate.
What is the SMILES notation for (E)-4-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]-3-[(5-methylfuran-2-yl)methyl]but-3-enoate?
The canonical SMILES for (E)-4-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]-3-[(5-methylfuran-2-yl)methyl]but-3-enoate is CCCCc1ncc(/C=C(/CC(=O)[O-])Cc2ccc(C)o2)n1Cc1ccccc1Cl.
What is the InChIKey of (E)-4-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]-3-[(5-methylfuran-2-yl)methyl]but-3-enoate?
The InChIKey is QISNJMFGILCEHR-LDADJPATSA-M. The full InChI is InChI=1S/C24H27ClN2O3/c1-3-4-9-23-26-15-20(27(23)16-19-7-5-6-8-22(19)25)12-18(14-24(28)29)13-21-11-10-17(2)30-21/h5-8,10-12,15H,3-4,9,13-14,16H2,1-2H3,(H,28,29)/p-1/b18-12+.
What are the key properties of (E)-4-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]-3-[(5-methylfuran-2-yl)methyl]but-3-enoate?
(E)-4-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]-3-[(5-methylfuran-2-yl)methyl]but-3-enoate has a molecular weight of 425.94 g/mol, XLogP of 4.59, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[2-butyl-3-[(2-chlorophenyl)methyl]imidazol-4-yl]-3-[(5-methylfuran-2-yl)methyl]but-3-enoate is sourced from PubChem (CID 19936739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).