(Z)-but-2-enedioic acid;5-[(Z)-6-cyclohexylhex-3-enyl]-1H-imidazole

C19H28N2O4 — CID 66757133

IUPAC(Z)-but-2-enedioic acid;5-[(Z)-6-cyclohexylhex-3-enyl]-1H-imidazole
SMILESC(=C\CCC1CCCCC1)\CCc1cnc[nH]1.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C15H24N2.C4H4O4/c1(2-7-11-15-12-16-13-17-15)4-8-14-9-5-3-6-10-14;5-3(6)1-2-4(7)8/h1-2,12-14H,3-11H2,(H,16,17);1-2H,(H,5,6)(H,7,8)/b2*2-1-
InChIKeyVPTANTFMKCQZHV-TZKOHIRVSA-N
MW348.44 g/mol
LogP3.97
Rot. Bonds8

About (Z)-but-2-enedioic acid;5-[(Z)-6-cyclohexylhex-3-enyl]-1H-imidazole

(Z)-but-2-enedioic acid;5-[(Z)-6-cyclohexylhex-3-enyl]-1H-imidazole (PubChem CID 66757133) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is (Z)-but-2-enedioic acid;5-[(Z)-6-cyclohexylhex-3-enyl]-1H-imidazole.

Molecular Properties

Compound Name(Z)-but-2-enedioic acid;5-[(Z)-6-cyclohexylhex-3-enyl]-1H-imidazole
PubChem CID66757133
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name(Z)-but-2-enedioic acid;5-[(Z)-6-cyclohexylhex-3-enyl]-1H-imidazole
SMILESC(=C\CCC1CCCCC1)\CCc1cnc[nH]1.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C15H24N2.C4H4O4/c1(2-7-11-15-12-16-13-17-15)4-8-14-9-5-3-6-10-14;5-3(6)1-2-4(7)8/h1-2,12-14H,3-11H2,(H,16,17);1-2H,(H,5,6)(H,7,8)/b2*2-1-
InChIKeyVPTANTFMKCQZHV-TZKOHIRVSA-N
XLogP3.97
TPSA103.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Thioperamide maleate
CID 11211984
(Z)-but-2-enedioic acid;5-[3-(4-methylpentoxy)propyl]-1H-imidazole
CID 71456317
(Z)-but-2-enedioic acid;5-[3-(3-methylbutoxy)propyl]-1H-imidazole
CID 71458153
GT-2227
CID 10198541
Cipralisant Maleate
CID 6450822
(Z)-but-2-enedioic acid;5-(3-octoxypropyl)-1H-imidazole
CID 44323631
(Z)-but-2-enedioic acid;5-[3-(3-cyclohexylpropoxy)propyl]-1H-imidazole
CID 44323755
(Z)-but-2-enedioic acid;5-[3-(3-cyclopentylpropoxy)propyl]-1H-imidazole
CID 44323815
(Z)-but-2-enedioic acid;5-[3-(2-cyclohexylethoxy)propyl]-1H-imidazole
CID 44323816
(E)-but-2-enedioic acid;3-(1H-imidazol-5-yl)propyl N-(3-methylpentyl)carbamate
CID 44370223
(E)-but-2-enedioic acid;3-(1H-imidazol-5-yl)propyl N-(2-methylpentyl)carbamate
CID 44370242
(Z)-but-2-enedioic acid;3-(1H-imidazol-5-yl)propyl N-(2-cyclohexylethyl)carbamate
CID 54585336

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-enedioic acid;5-[(Z)-6-cyclohexylhex-3-enyl]-1H-imidazole?
The IUPAC name of (Z)-but-2-enedioic acid;5-[(Z)-6-cyclohexylhex-3-enyl]-1H-imidazole (CID 66757133) is (Z)-but-2-enedioic acid;5-[(Z)-6-cyclohexylhex-3-enyl]-1H-imidazole.
What is the SMILES notation for (Z)-but-2-enedioic acid;5-[(Z)-6-cyclohexylhex-3-enyl]-1H-imidazole?
The canonical SMILES for (Z)-but-2-enedioic acid;5-[(Z)-6-cyclohexylhex-3-enyl]-1H-imidazole is C(=C\CCC1CCCCC1)\CCc1cnc[nH]1.O=C(O)/C=C\C(=O)O.
What is the InChIKey of (Z)-but-2-enedioic acid;5-[(Z)-6-cyclohexylhex-3-enyl]-1H-imidazole?
The InChIKey is VPTANTFMKCQZHV-TZKOHIRVSA-N. The full InChI is InChI=1S/C15H24N2.C4H4O4/c1(2-7-11-15-12-16-13-17-15)4-8-14-9-5-3-6-10-14;5-3(6)1-2-4(7)8/h1-2,12-14H,3-11H2,(H,16,17);1-2H,(H,5,6)(H,7,8)/b2*2-1-.
What are the key properties of (Z)-but-2-enedioic acid;5-[(Z)-6-cyclohexylhex-3-enyl]-1H-imidazole?
(Z)-but-2-enedioic acid;5-[(Z)-6-cyclohexylhex-3-enyl]-1H-imidazole has a molecular weight of 348.44 g/mol, XLogP of 3.97, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-enedioic acid;5-[(Z)-6-cyclohexylhex-3-enyl]-1H-imidazole is sourced from PubChem (CID 66757133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).