(4E,5E)-4-butylidene-5-propylidene-2-pyrrolidin-2-yl-1H-imidazole

C14H23N3 — CID 90719485

IUPAC(4E,5E)-4-butylidene-5-propylidene-2-pyrrolidin-2-yl-1H-imidazole
SMILESCC/C=c1/[nH]c(C2CCCN2)n/c1=C/CCC
InChIInChI=1S/C14H23N3/c1-3-5-8-12-11(7-4-2)16-14(17-12)13-9-6-10-15-13/h7-8,13,15H,3-6,9-10H2,1-2H3,(H,16,17)/b11-7+,12-8+
InChIKeyYRDAAHCXDQEDGI-MKICQXMISA-N
MW233.36 g/mol
LogP1.61
Rot. Bonds4

About (4E,5E)-4-butylidene-5-propylidene-2-pyrrolidin-2-yl-1H-imidazole

(4E,5E)-4-butylidene-5-propylidene-2-pyrrolidin-2-yl-1H-imidazole (PubChem CID 90719485) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is (4E,5E)-4-butylidene-5-propylidene-2-pyrrolidin-2-yl-1H-imidazole.

Molecular Properties

Compound Name(4E,5E)-4-butylidene-5-propylidene-2-pyrrolidin-2-yl-1H-imidazole
PubChem CID90719485
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name(4E,5E)-4-butylidene-5-propylidene-2-pyrrolidin-2-yl-1H-imidazole
SMILESCC/C=c1/[nH]c(C2CCCN2)n/c1=C/CCC
InChIInChI=1S/C14H23N3/c1-3-5-8-12-11(7-4-2)16-14(17-12)13-9-6-10-15-13/h7-8,13,15H,3-6,9-10H2,1-2H3,(H,16,17)/b11-7+,12-8+
InChIKeyYRDAAHCXDQEDGI-MKICQXMISA-N
XLogP1.61
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(2,3-dihydro-1H-pyrrol-5-yl)butyl]-4,5-dihydro-1H-imidazole
CID 22886486
5-methyl-2-[2-(2-methyl-2,3-dihydro-1H-pyrrol-5-yl)ethyl]-4,5-dihydro-1H-imidazole
CID 22886502
6-Methylidene-2-pyrrolidin-2-yl-1,5-dihydrobenzimidazole
CID 90745506
9-methyl-2-pyrrolidin-2-yl-4,9-dihydro-1H-1,3-diazonine
CID 90969650
5-Bromo-2-(1-methylpyrrolidin-2-yl)-3,7-dihydrocyclohepta[d]imidazole
CID 91175355
4-[1,1-Dimethyl-2-(1-methylpyrrolidin-2-yl)imidazol-1-ium-4-yl]-1,2,3,6-tetrahydropyridine
CID 91197302
(2S)-N'-methyl-N-[(3Z)-2-methylhexa-3,5-dien-3-yl]pyrrolidine-2-carboximidamide
CID 129144282
N'-methyl-N-(3-methylcyclohexa-1,5-dien-1-yl)pyrrolidine-2-carboximidamide
CID 143939515
5-Methyl-2-pyrrolidin-2-yl-3,7-dihydrocyclohepta[d]imidazole
CID 144100236
Ethane;6-methyl-2-pyrrolidin-2-yl-3,8a-dihydrocyclohepta[d]imidazole
CID 144100259
6-Methyl-2-pyrrolidin-2-yl-3,8a-dihydrocyclohepta[d]imidazole
CID 144100260
ethane;(4E)-5-methylidene-4-(2-methylprop-2-enylidene)-2-pyrrolidin-2-yl-1H-imidazole
CID 144123429

Frequently Asked Questions

What is the IUPAC name of (4E,5E)-4-butylidene-5-propylidene-2-pyrrolidin-2-yl-1H-imidazole?
The IUPAC name of (4E,5E)-4-butylidene-5-propylidene-2-pyrrolidin-2-yl-1H-imidazole (CID 90719485) is (4E,5E)-4-butylidene-5-propylidene-2-pyrrolidin-2-yl-1H-imidazole.
What is the SMILES notation for (4E,5E)-4-butylidene-5-propylidene-2-pyrrolidin-2-yl-1H-imidazole?
The canonical SMILES for (4E,5E)-4-butylidene-5-propylidene-2-pyrrolidin-2-yl-1H-imidazole is CC/C=c1/[nH]c(C2CCCN2)n/c1=C/CCC.
What is the InChIKey of (4E,5E)-4-butylidene-5-propylidene-2-pyrrolidin-2-yl-1H-imidazole?
The InChIKey is YRDAAHCXDQEDGI-MKICQXMISA-N. The full InChI is InChI=1S/C14H23N3/c1-3-5-8-12-11(7-4-2)16-14(17-12)13-9-6-10-15-13/h7-8,13,15H,3-6,9-10H2,1-2H3,(H,16,17)/b11-7+,12-8+.
What are the key properties of (4E,5E)-4-butylidene-5-propylidene-2-pyrrolidin-2-yl-1H-imidazole?
(4E,5E)-4-butylidene-5-propylidene-2-pyrrolidin-2-yl-1H-imidazole has a molecular weight of 233.36 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-4-butylidene-5-propylidene-2-pyrrolidin-2-yl-1H-imidazole is sourced from PubChem (CID 90719485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).