ethane;2-[5-[(2E,4Z)-hexa-2,4-dien-2-yl]thiophen-2-yl]-5-methyl-4-phenyl-1H-imidazole

C22H26N2S — CID 145093244

IUPACethane;2-[5-[(2E,4Z)-hexa-2,4-dien-2-yl]thiophen-2-yl]-5-methyl-4-phenyl-1H-imidazole
SMILESC/C=C\C=C(/C)c1ccc(-c2nc(-c3ccccc3)c(C)[nH]2)s1.CC
InChIInChI=1S/C20H20N2S.C2H6/c1-4-5-9-14(2)17-12-13-18(23-17)20-21-15(3)19(22-20)16-10-7-6-8-11-16;1-2/h4-13H,1-3H3,(H,21,22);1-2H3/b5-4-,14-9+;
InChIKeyPVCQQWKQEFREKD-UCQKLEKESA-N
MW350.53 g/mol
LogP7.12
Rot. Bonds4

About ethane;2-[5-[(2E,4Z)-hexa-2,4-dien-2-yl]thiophen-2-yl]-5-methyl-4-phenyl-1H-imidazole

ethane;2-[5-[(2E,4Z)-hexa-2,4-dien-2-yl]thiophen-2-yl]-5-methyl-4-phenyl-1H-imidazole (PubChem CID 145093244) has the molecular formula C22H26N2S and a molecular weight of 350.53 g/mol. Its IUPAC name is ethane;2-[5-[(2E,4Z)-hexa-2,4-dien-2-yl]thiophen-2-yl]-5-methyl-4-phenyl-1H-imidazole.

Molecular Properties

Compound Nameethane;2-[5-[(2E,4Z)-hexa-2,4-dien-2-yl]thiophen-2-yl]-5-methyl-4-phenyl-1H-imidazole
PubChem CID145093244
Molecular FormulaC22H26N2S
Molecular Weight350.53 g/mol
Exact Mass350.18
IUPAC Nameethane;2-[5-[(2E,4Z)-hexa-2,4-dien-2-yl]thiophen-2-yl]-5-methyl-4-phenyl-1H-imidazole
SMILESC/C=C\C=C(/C)c1ccc(-c2nc(-c3ccccc3)c(C)[nH]2)s1.CC
InChIInChI=1S/C20H20N2S.C2H6/c1-4-5-9-14(2)17-12-13-18(23-17)20-21-15(3)19(22-20)16-10-7-6-8-11-16;1-2/h4-13H,1-3H3,(H,21,22);1-2H3/b5-4-,14-9+;
InChIKeyPVCQQWKQEFREKD-UCQKLEKESA-N
XLogP7.12
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.53
LogP ≤ 57.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,5-bis[(2E,4Z)-hexa-2,4-dien-2-yl]thiophene
CID 89276075
2-[(2E,4Z)-hexa-2,4-dien-2-yl]-3-phenylquinoxaline
CID 143718934
2-(3,5-dichlorophenyl)-5-methyl-4-phenyl-1H-imidazole
CID 23103031
2,6-ditert-butyl-4-(5-methyl-4-phenyl-1H-imidazol-2-yl)phenol
CID 136594086
2-[(2E,4E)-5-(2-fluorophenyl)hexa-2,4-dien-2-yl]-5-methyl-4-phenyl-1H-imidazole
CID 121391522
N-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)phenyl]acetamide
CID 135280728
2-(furan-2-yl)-5-methyl-4-phenyl-1H-imidazole
CID 73335465
(1S)-2-methyl-1-(5-methyl-4-phenyl-1H-imidazol-2-yl)propan-1-amine
CID 102970498
5-[(2E,4Z)-hexa-2,4-dien-2-yl]-2-phenylpyrimidine
CID 139472537
2,5-diphenyl-1H-imidazole;5-methyl-2,4-diphenyl-1H-imidazole
CID 67847310
2-(5-bromothiophen-2-yl)-4-[4-[2-(5-bromothiophen-2-yl)-5-phenyl-1H-imidazol-4-yl]phenyl]-5-phenyl-1H-imidazole
CID 135424424
[2-(5-methyl-4-phenyl-1H-imidazol-2-yl)phenyl]methanamine
CID 103386817

Frequently Asked Questions

What is the IUPAC name of ethane;2-[5-[(2E,4Z)-hexa-2,4-dien-2-yl]thiophen-2-yl]-5-methyl-4-phenyl-1H-imidazole?
The IUPAC name of ethane;2-[5-[(2E,4Z)-hexa-2,4-dien-2-yl]thiophen-2-yl]-5-methyl-4-phenyl-1H-imidazole (CID 145093244) is ethane;2-[5-[(2E,4Z)-hexa-2,4-dien-2-yl]thiophen-2-yl]-5-methyl-4-phenyl-1H-imidazole.
What is the SMILES notation for ethane;2-[5-[(2E,4Z)-hexa-2,4-dien-2-yl]thiophen-2-yl]-5-methyl-4-phenyl-1H-imidazole?
The canonical SMILES for ethane;2-[5-[(2E,4Z)-hexa-2,4-dien-2-yl]thiophen-2-yl]-5-methyl-4-phenyl-1H-imidazole is C/C=C\C=C(/C)c1ccc(-c2nc(-c3ccccc3)c(C)[nH]2)s1.CC.
What is the InChIKey of ethane;2-[5-[(2E,4Z)-hexa-2,4-dien-2-yl]thiophen-2-yl]-5-methyl-4-phenyl-1H-imidazole?
The InChIKey is PVCQQWKQEFREKD-UCQKLEKESA-N. The full InChI is InChI=1S/C20H20N2S.C2H6/c1-4-5-9-14(2)17-12-13-18(23-17)20-21-15(3)19(22-20)16-10-7-6-8-11-16;1-2/h4-13H,1-3H3,(H,21,22);1-2H3/b5-4-,14-9+;.
What are the key properties of ethane;2-[5-[(2E,4Z)-hexa-2,4-dien-2-yl]thiophen-2-yl]-5-methyl-4-phenyl-1H-imidazole?
ethane;2-[5-[(2E,4Z)-hexa-2,4-dien-2-yl]thiophen-2-yl]-5-methyl-4-phenyl-1H-imidazole has a molecular weight of 350.53 g/mol, XLogP of 7.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[5-[(2E,4Z)-hexa-2,4-dien-2-yl]thiophen-2-yl]-5-methyl-4-phenyl-1H-imidazole is sourced from PubChem (CID 145093244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).