4-[2-ethyl-3-(4-methylcyclohepta-1,3,5-trien-1-yl)but-3-enyl]-2,3-dihydro-1H-imidazole

C17H24N2 — CID 142833286

IUPAC4-[2-ethyl-3-(4-methylcyclohepta-1,3,5-trien-1-yl)but-3-enyl]-2,3-dihydro-1H-imidazole
SMILESC=C(C1=CC=C(C)C=CC1)C(CC)CC1=CNCN1
InChIInChI=1S/C17H24N2/c1-4-15(10-17-11-18-12-19-17)14(3)16-7-5-6-13(2)8-9-16/h5-6,8-9,11,15,18-19H,3-4,7,10,12H2,1-2H3
InChIKeyUOHNAWSGHRUHGX-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.78
Rot. Bonds5

About 4-[2-ethyl-3-(4-methylcyclohepta-1,3,5-trien-1-yl)but-3-enyl]-2,3-dihydro-1H-imidazole

4-[2-ethyl-3-(4-methylcyclohepta-1,3,5-trien-1-yl)but-3-enyl]-2,3-dihydro-1H-imidazole (PubChem CID 142833286) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 4-[2-ethyl-3-(4-methylcyclohepta-1,3,5-trien-1-yl)but-3-enyl]-2,3-dihydro-1H-imidazole.

Molecular Properties

Compound Name4-[2-ethyl-3-(4-methylcyclohepta-1,3,5-trien-1-yl)but-3-enyl]-2,3-dihydro-1H-imidazole
PubChem CID142833286
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name4-[2-ethyl-3-(4-methylcyclohepta-1,3,5-trien-1-yl)but-3-enyl]-2,3-dihydro-1H-imidazole
SMILESC=C(C1=CC=C(C)C=CC1)C(CC)CC1=CNCN1
InChIInChI=1S/C17H24N2/c1-4-15(10-17-11-18-12-19-17)14(3)16-7-5-6-13(2)8-9-16/h5-6,8-9,11,15,18-19H,3-4,7,10,12H2,1-2H3
InChIKeyUOHNAWSGHRUHGX-UHFFFAOYSA-N
XLogP3.78
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[2-ethyl-3-(4-methylcyclohepta-1,3,5-trien-1-yl)but-3-enyl]-2,3-dihydro-1H-imidazole with MolForge

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Related Compounds

N-[(3E,5Z)-3,7-difluoroocta-3,5,7-trienyl]-4-methyl-5-[(5-methylidenepyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydropyridin-2-amine
CID 89270667
4-[[2-[(E)-prop-1-enyl]cyclopent-2-en-1-yl]methyl]-1,3-dihydroimidazole-2-thione
CID 23549524
4-hexan-2-yl-N-methyl-1,2,6,7-tetrahydroquinolin-2-amine
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4-[(1R)-1-(5,6-dimethylcyclohexa-2,4-dien-1-yl)ethyl]-1,3-dihydroimidazole-2-thione
CID 71082101
7,9-Diazatetracyclo[12.4.0.01,6.07,11]octadeca-5,10,12,14,16-pentaen-16-amine
CID 88443827
1-(3a,4-dihydro-1H-indol-3-yl)propan-2-amine
CID 89050043
4-ethyl-2,3,4,9-tetrahydro-1H-pyrido[2,3-b]azepine
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1-Cyclohexyl-2,3-dihydroimidazo[1,5-a]pyridine
CID 118609510
4-[(Z)-6-methyl-3-methylidenehept-1-enyl]-2,3-dihydro-1H-imidazole
CID 121420144
(4Z)-4-(1-cyclohept-3-en-1-ylethylidene)-7-ethenyl-6-methyl-1,2,3,5-tetrahydro-1,3,5-triazepine
CID 126581420
N-[(1E,3R)-2-butyl-3-methyl-1-[(6S)-4-propan-2-yl-3-bicyclo[4.1.0]hepta-1(7),2,4-trienyl]hepta-1,6-dienyl]-1,2-dihydropyridin-2-amine
CID 129208629
N-(4-butan-2-ylcyclohexa-1,3-dien-1-yl)-N',N',N",N"-tetramethylmethanetriamine
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Frequently Asked Questions

What is the IUPAC name of 4-[2-ethyl-3-(4-methylcyclohepta-1,3,5-trien-1-yl)but-3-enyl]-2,3-dihydro-1H-imidazole?
The IUPAC name of 4-[2-ethyl-3-(4-methylcyclohepta-1,3,5-trien-1-yl)but-3-enyl]-2,3-dihydro-1H-imidazole (CID 142833286) is 4-[2-ethyl-3-(4-methylcyclohepta-1,3,5-trien-1-yl)but-3-enyl]-2,3-dihydro-1H-imidazole.
What is the SMILES notation for 4-[2-ethyl-3-(4-methylcyclohepta-1,3,5-trien-1-yl)but-3-enyl]-2,3-dihydro-1H-imidazole?
The canonical SMILES for 4-[2-ethyl-3-(4-methylcyclohepta-1,3,5-trien-1-yl)but-3-enyl]-2,3-dihydro-1H-imidazole is C=C(C1=CC=C(C)C=CC1)C(CC)CC1=CNCN1.
What is the InChIKey of 4-[2-ethyl-3-(4-methylcyclohepta-1,3,5-trien-1-yl)but-3-enyl]-2,3-dihydro-1H-imidazole?
The InChIKey is UOHNAWSGHRUHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-4-15(10-17-11-18-12-19-17)14(3)16-7-5-6-13(2)8-9-16/h5-6,8-9,11,15,18-19H,3-4,7,10,12H2,1-2H3.
What are the key properties of 4-[2-ethyl-3-(4-methylcyclohepta-1,3,5-trien-1-yl)but-3-enyl]-2,3-dihydro-1H-imidazole?
4-[2-ethyl-3-(4-methylcyclohepta-1,3,5-trien-1-yl)but-3-enyl]-2,3-dihydro-1H-imidazole has a molecular weight of 256.39 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-ethyl-3-(4-methylcyclohepta-1,3,5-trien-1-yl)but-3-enyl]-2,3-dihydro-1H-imidazole is sourced from PubChem (CID 142833286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).