2-but-2-en-2-yl-7-methyl-1-(3-methyl-1-phenylimidazol-3-ium-4-yl)indole

C23H24N3+ — CID 153169485

IUPAC2-but-2-en-2-yl-7-methyl-1-(3-methyl-1-phenylimidazol-3-ium-4-yl)indole
SMILESCC=C(C)c1cc2cccc(C)c2n1-c1cn(-c2ccccc2)c[n+]1C
InChIInChI=1S/C23H24N3/c1-5-17(2)21-14-19-11-9-10-18(3)23(19)26(21)22-15-25(16-24(22)4)20-12-7-6-8-13-20/h5-16H,1-4H3/q+1
InChIKeyQZDNZUKWEPCMTI-UHFFFAOYSA-N
MW342.47 g/mol
LogP4.98
Rot. Bonds3

About 2-but-2-en-2-yl-7-methyl-1-(3-methyl-1-phenylimidazol-3-ium-4-yl)indole

2-but-2-en-2-yl-7-methyl-1-(3-methyl-1-phenylimidazol-3-ium-4-yl)indole (PubChem CID 153169485) has the molecular formula C23H24N3+ and a molecular weight of 342.47 g/mol. Its IUPAC name is 2-but-2-en-2-yl-7-methyl-1-(3-methyl-1-phenylimidazol-3-ium-4-yl)indole.

Molecular Properties

Compound Name2-but-2-en-2-yl-7-methyl-1-(3-methyl-1-phenylimidazol-3-ium-4-yl)indole
PubChem CID153169485
Molecular FormulaC23H24N3+
Molecular Weight342.47 g/mol
Exact Mass342.20
IUPAC Name2-but-2-en-2-yl-7-methyl-1-(3-methyl-1-phenylimidazol-3-ium-4-yl)indole
SMILESCC=C(C)c1cc2cccc(C)c2n1-c1cn(-c2ccccc2)c[n+]1C
InChIInChI=1S/C23H24N3/c1-5-17(2)21-14-19-11-9-10-18(3)23(19)26(21)22-15-25(16-24(22)4)20-12-7-6-8-13-20/h5-16H,1-4H3/q+1
InChIKeyQZDNZUKWEPCMTI-UHFFFAOYSA-N
XLogP4.98
TPSA13.74 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2-but-2-en-2-yl-7-methyl-1-(3-methyl-1-phenylimidazol-3-ium-4-yl)indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-but-2-en-2-yl-7-methyl-1-[3-methyl-1-phenyl-2-(trideuteriomethyl)imidazol-3-ium-4-yl]indole
CID 147040504
2-but-2-en-2-yl-1-[1-[2,6-di(propan-2-yl)phenyl]-3-methylimidazol-3-ium-2-yl]-7-methylindole
CID 158725369
1-(3-chlorophenyl)-7-methylindole-2-carboxylic acid
CID 175724450
4-methyl-3-(3-methyl-1-phenylimidazol-3-ium-4-yl)-1,2-bis(trideuteriomethyl)pyrrolo[2,3-b]indole
CID 158916906
7-methyl-2-phenylsulfanyl-1-pyrimidin-2-ylindole
CID 154631175
7-methyl-1-phenyl-3-[(E)-prop-1-enyl]-2-[(Z)-prop-1-enyl]indole
CID 122678080
(Z)-but-2-ene;ethane;1-methyl-9-(3-phenylphenyl)carbazole
CID 144884443
7-methyl-1-[1-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]-2-phenylindole
CID 148974380
N-[(1,7-dimethylindol-2-yl)methyl]ethanamine
CID 117186537
2-[(Z)-but-2-en-2-yl]-1,3-dimethylbenzene;ethane
CID 144812182
1-[(E)-but-2-en-2-yl]-2-methylbenzene
CID 12835573
2-[(1,7-dimethylindole-2-carbonyl)amino]acetic acid
CID 110835889

Frequently Asked Questions

What is the IUPAC name of 2-but-2-en-2-yl-7-methyl-1-(3-methyl-1-phenylimidazol-3-ium-4-yl)indole?
The IUPAC name of 2-but-2-en-2-yl-7-methyl-1-(3-methyl-1-phenylimidazol-3-ium-4-yl)indole (CID 153169485) is 2-but-2-en-2-yl-7-methyl-1-(3-methyl-1-phenylimidazol-3-ium-4-yl)indole.
What is the SMILES notation for 2-but-2-en-2-yl-7-methyl-1-(3-methyl-1-phenylimidazol-3-ium-4-yl)indole?
The canonical SMILES for 2-but-2-en-2-yl-7-methyl-1-(3-methyl-1-phenylimidazol-3-ium-4-yl)indole is CC=C(C)c1cc2cccc(C)c2n1-c1cn(-c2ccccc2)c[n+]1C.
What is the InChIKey of 2-but-2-en-2-yl-7-methyl-1-(3-methyl-1-phenylimidazol-3-ium-4-yl)indole?
The InChIKey is QZDNZUKWEPCMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N3/c1-5-17(2)21-14-19-11-9-10-18(3)23(19)26(21)22-15-25(16-24(22)4)20-12-7-6-8-13-20/h5-16H,1-4H3/q+1.
What are the key properties of 2-but-2-en-2-yl-7-methyl-1-(3-methyl-1-phenylimidazol-3-ium-4-yl)indole?
2-but-2-en-2-yl-7-methyl-1-(3-methyl-1-phenylimidazol-3-ium-4-yl)indole has a molecular weight of 342.47 g/mol, XLogP of 4.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-2-en-2-yl-7-methyl-1-(3-methyl-1-phenylimidazol-3-ium-4-yl)indole is sourced from PubChem (CID 153169485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).