(1E)-1-[(5Z)-5-[(Z)-hex-4-en-3-ylidene]-1-methyl-2-[2-(3-methylpyrrolidin-1-yl)prop-2-enyl]imidazol-4-ylidene]-N,N-dimethylmethanamine

C21H34N4 — CID 135142722

IUPAC(1E)-1-[(5Z)-5-[(Z)-hex-4-en-3-ylidene]-1-methyl-2-[2-(3-methylpyrrolidin-1-yl)prop-2-enyl]imidazol-4-ylidene]-N,N-dimethylmethanamine
SMILESC=C(Cc1nc(=C/N(C)C)/c(=C(/C=C\C)CC)n1C)N1CCC(C)C1
InChIInChI=1S/C21H34N4/c1-8-10-18(9-2)21-19(15-23(5)6)22-20(24(21)7)13-17(4)25-12-11-16(3)14-25/h8,10,15-16H,4,9,11-14H2,1-3,5-7H3/b10-8-,19-15+,21-18-
InChIKeyYPTIUHWUWOBCFI-UOKDXAEXSA-N
MW342.53 g/mol
LogP2.25
Rot. Bonds6

About (1E)-1-[(5Z)-5-[(Z)-hex-4-en-3-ylidene]-1-methyl-2-[2-(3-methylpyrrolidin-1-yl)prop-2-enyl]imidazol-4-ylidene]-N,N-dimethylmethanamine

(1E)-1-[(5Z)-5-[(Z)-hex-4-en-3-ylidene]-1-methyl-2-[2-(3-methylpyrrolidin-1-yl)prop-2-enyl]imidazol-4-ylidene]-N,N-dimethylmethanamine (PubChem CID 135142722) has the molecular formula C21H34N4 and a molecular weight of 342.53 g/mol. Its IUPAC name is (1E)-1-[(5Z)-5-[(Z)-hex-4-en-3-ylidene]-1-methyl-2-[2-(3-methylpyrrolidin-1-yl)prop-2-enyl]imidazol-4-ylidene]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name(1E)-1-[(5Z)-5-[(Z)-hex-4-en-3-ylidene]-1-methyl-2-[2-(3-methylpyrrolidin-1-yl)prop-2-enyl]imidazol-4-ylidene]-N,N-dimethylmethanamine
PubChem CID135142722
Molecular FormulaC21H34N4
Molecular Weight342.53 g/mol
Exact Mass342.28
IUPAC Name(1E)-1-[(5Z)-5-[(Z)-hex-4-en-3-ylidene]-1-methyl-2-[2-(3-methylpyrrolidin-1-yl)prop-2-enyl]imidazol-4-ylidene]-N,N-dimethylmethanamine
SMILESC=C(Cc1nc(=C/N(C)C)/c(=C(/C=C\C)CC)n1C)N1CCC(C)C1
InChIInChI=1S/C21H34N4/c1-8-10-18(9-2)21-19(15-23(5)6)22-20(24(21)7)13-17(4)25-12-11-16(3)14-25/h8,10,15-16H,4,9,11-14H2,1-3,5-7H3/b10-8-,19-15+,21-18-
InChIKeyYPTIUHWUWOBCFI-UOKDXAEXSA-N
XLogP2.25
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.53
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1E)-1-[(5Z)-5-[(Z)-hex-4-en-3-ylidene]-1-methyl-2-[2-(3-methylpyrrolidin-1-yl)prop-2-enyl]imidazol-4-ylidene]-N,N-dimethylmethanamine?
The IUPAC name of (1E)-1-[(5Z)-5-[(Z)-hex-4-en-3-ylidene]-1-methyl-2-[2-(3-methylpyrrolidin-1-yl)prop-2-enyl]imidazol-4-ylidene]-N,N-dimethylmethanamine (CID 135142722) is (1E)-1-[(5Z)-5-[(Z)-hex-4-en-3-ylidene]-1-methyl-2-[2-(3-methylpyrrolidin-1-yl)prop-2-enyl]imidazol-4-ylidene]-N,N-dimethylmethanamine.
What is the SMILES notation for (1E)-1-[(5Z)-5-[(Z)-hex-4-en-3-ylidene]-1-methyl-2-[2-(3-methylpyrrolidin-1-yl)prop-2-enyl]imidazol-4-ylidene]-N,N-dimethylmethanamine?
The canonical SMILES for (1E)-1-[(5Z)-5-[(Z)-hex-4-en-3-ylidene]-1-methyl-2-[2-(3-methylpyrrolidin-1-yl)prop-2-enyl]imidazol-4-ylidene]-N,N-dimethylmethanamine is C=C(Cc1nc(=C/N(C)C)/c(=C(/C=C\C)CC)n1C)N1CCC(C)C1.
What is the InChIKey of (1E)-1-[(5Z)-5-[(Z)-hex-4-en-3-ylidene]-1-methyl-2-[2-(3-methylpyrrolidin-1-yl)prop-2-enyl]imidazol-4-ylidene]-N,N-dimethylmethanamine?
The InChIKey is YPTIUHWUWOBCFI-UOKDXAEXSA-N. The full InChI is InChI=1S/C21H34N4/c1-8-10-18(9-2)21-19(15-23(5)6)22-20(24(21)7)13-17(4)25-12-11-16(3)14-25/h8,10,15-16H,4,9,11-14H2,1-3,5-7H3/b10-8-,19-15+,21-18-.
What are the key properties of (1E)-1-[(5Z)-5-[(Z)-hex-4-en-3-ylidene]-1-methyl-2-[2-(3-methylpyrrolidin-1-yl)prop-2-enyl]imidazol-4-ylidene]-N,N-dimethylmethanamine?
(1E)-1-[(5Z)-5-[(Z)-hex-4-en-3-ylidene]-1-methyl-2-[2-(3-methylpyrrolidin-1-yl)prop-2-enyl]imidazol-4-ylidene]-N,N-dimethylmethanamine has a molecular weight of 342.53 g/mol, XLogP of 2.25, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-[(5Z)-5-[(Z)-hex-4-en-3-ylidene]-1-methyl-2-[2-(3-methylpyrrolidin-1-yl)prop-2-enyl]imidazol-4-ylidene]-N,N-dimethylmethanamine is sourced from PubChem (CID 135142722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).