1-methyl-2-[(2Z,4E,6Z)-nona-2,4,6-trien-4-yl]-4-(trifluoromethyl)imidazole

C14H17F3N2 — CID 142001727

IUPAC1-methyl-2-[(2Z,4E,6Z)-nona-2,4,6-trien-4-yl]-4-(trifluoromethyl)imidazole
SMILESC/C=C\C(=C/C=C\CC)c1nc(C(F)(F)F)cn1C
InChIInChI=1S/C14H17F3N2/c1-4-6-7-9-11(8-5-2)13-18-12(10-19(13)3)14(15,16)17/h5-10H,4H2,1-3H3/b7-6-,8-5-,11-9+
InChIKeyBHJYWYDQLRIPSU-DFRNHVOSSA-N
MW270.30 g/mol
LogP4.36
Rot. Bonds4

About 1-methyl-2-[(2Z,4E,6Z)-nona-2,4,6-trien-4-yl]-4-(trifluoromethyl)imidazole

1-methyl-2-[(2Z,4E,6Z)-nona-2,4,6-trien-4-yl]-4-(trifluoromethyl)imidazole (PubChem CID 142001727) has the molecular formula C14H17F3N2 and a molecular weight of 270.30 g/mol. Its IUPAC name is 1-methyl-2-[(2Z,4E,6Z)-nona-2,4,6-trien-4-yl]-4-(trifluoromethyl)imidazole.

Molecular Properties

Compound Name1-methyl-2-[(2Z,4E,6Z)-nona-2,4,6-trien-4-yl]-4-(trifluoromethyl)imidazole
PubChem CID142001727
Molecular FormulaC14H17F3N2
Molecular Weight270.30 g/mol
Exact Mass270.13
IUPAC Name1-methyl-2-[(2Z,4E,6Z)-nona-2,4,6-trien-4-yl]-4-(trifluoromethyl)imidazole
SMILESC/C=C\C(=C/C=C\CC)c1nc(C(F)(F)F)cn1C
InChIInChI=1S/C14H17F3N2/c1-4-6-7-9-11(8-5-2)13-18-12(10-19(13)3)14(15,16)17/h5-10H,4H2,1-3H3/b7-6-,8-5-,11-9+
InChIKeyBHJYWYDQLRIPSU-DFRNHVOSSA-N
XLogP4.36
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Tert-butyl-1-methyl-4-(trifluoromethyl)imidazole
CID 15500426
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CID 6442774
1H-Imidazole, 5-(2,6-dimethyl-1,5-heptadienyl)-1-(2-methylpropyl)-, (E)-
CID 6442784
2-[[2-(1,4-Difluorocyclohexa-2,4-dien-1-yl)imidazol-1-yl]methyl]-4,5-dimethyl-1-propylimidazole
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2-[[2-(1,4-Difluorocyclohexa-2,4-dien-1-yl)imidazol-1-yl]methyl]-1-ethyl-4,5-dimethylimidazole
CID 22181669
Iridium;1-methyl-2-[3-methyl-5-(trifluoromethyl)benzene-6-id-1-yl]imidazole
CID 58202901
4-Methyl-1-[3-(trifluoromethyl)benzene-5-id-1-yl]imidazole;yttrium
CID 59431281
5-Ethyl-1-methyl-2-(2,2,2-trifluoroethyl)imidazole
CID 59746127
5-(4-Methylimidazol-1-yl)-3-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
CID 67208851
1,2-Dimethyl-5-(2,2,2-trifluoroethyl)imidazole
CID 69174145
2-Ethyl-1-propyl-4-(trifluoromethyl)imidazole
CID 71124860
N-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-3-(5-methylimidazol-1-yl)propan-1-amine
CID 71168011

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(2Z,4E,6Z)-nona-2,4,6-trien-4-yl]-4-(trifluoromethyl)imidazole?
The IUPAC name of 1-methyl-2-[(2Z,4E,6Z)-nona-2,4,6-trien-4-yl]-4-(trifluoromethyl)imidazole (CID 142001727) is 1-methyl-2-[(2Z,4E,6Z)-nona-2,4,6-trien-4-yl]-4-(trifluoromethyl)imidazole.
What is the SMILES notation for 1-methyl-2-[(2Z,4E,6Z)-nona-2,4,6-trien-4-yl]-4-(trifluoromethyl)imidazole?
The canonical SMILES for 1-methyl-2-[(2Z,4E,6Z)-nona-2,4,6-trien-4-yl]-4-(trifluoromethyl)imidazole is C/C=C\C(=C/C=C\CC)c1nc(C(F)(F)F)cn1C.
What is the InChIKey of 1-methyl-2-[(2Z,4E,6Z)-nona-2,4,6-trien-4-yl]-4-(trifluoromethyl)imidazole?
The InChIKey is BHJYWYDQLRIPSU-DFRNHVOSSA-N. The full InChI is InChI=1S/C14H17F3N2/c1-4-6-7-9-11(8-5-2)13-18-12(10-19(13)3)14(15,16)17/h5-10H,4H2,1-3H3/b7-6-,8-5-,11-9+.
What are the key properties of 1-methyl-2-[(2Z,4E,6Z)-nona-2,4,6-trien-4-yl]-4-(trifluoromethyl)imidazole?
1-methyl-2-[(2Z,4E,6Z)-nona-2,4,6-trien-4-yl]-4-(trifluoromethyl)imidazole has a molecular weight of 270.30 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(2Z,4E,6Z)-nona-2,4,6-trien-4-yl]-4-(trifluoromethyl)imidazole is sourced from PubChem (CID 142001727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).