(4R)-5-[(1Z)-buta-1,3-dienyl]-2-[(E)-hept-3-en-4-yl]-1,4-dimethyl-4,5-dihydroimidazole

C16H26N2 — CID 89192494

IUPAC(4R)-5-[(1Z)-buta-1,3-dienyl]-2-[(E)-hept-3-en-4-yl]-1,4-dimethyl-4,5-dihydroimidazole
SMILESC=C/C=C\C1[C@@H](C)N=C(/C(=C/CC)CCC)N1C
InChIInChI=1S/C16H26N2/c1-6-9-12-15-13(4)17-16(18(15)5)14(10-7-2)11-8-3/h6,9-10,12-13,15H,1,7-8,11H2,2-5H3/b12-9-,14-10+/t13-,15?/m1/s1
InChIKeyUSVUGVHNFMXGHQ-VEYRYAOMSA-N
MW246.40 g/mol
LogP3.97
Rot. Bonds6

About (4R)-5-[(1Z)-buta-1,3-dienyl]-2-[(E)-hept-3-en-4-yl]-1,4-dimethyl-4,5-dihydroimidazole

(4R)-5-[(1Z)-buta-1,3-dienyl]-2-[(E)-hept-3-en-4-yl]-1,4-dimethyl-4,5-dihydroimidazole (PubChem CID 89192494) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is (4R)-5-[(1Z)-buta-1,3-dienyl]-2-[(E)-hept-3-en-4-yl]-1,4-dimethyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name(4R)-5-[(1Z)-buta-1,3-dienyl]-2-[(E)-hept-3-en-4-yl]-1,4-dimethyl-4,5-dihydroimidazole
PubChem CID89192494
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name(4R)-5-[(1Z)-buta-1,3-dienyl]-2-[(E)-hept-3-en-4-yl]-1,4-dimethyl-4,5-dihydroimidazole
SMILESC=C/C=C\C1[C@@H](C)N=C(/C(=C/CC)CCC)N1C
InChIInChI=1S/C16H26N2/c1-6-9-12-15-13(4)17-16(18(15)5)14(10-7-2)11-8-3/h6,9-10,12-13,15H,1,7-8,11H2,2-5H3/b12-9-,14-10+/t13-,15?/m1/s1
InChIKeyUSVUGVHNFMXGHQ-VEYRYAOMSA-N
XLogP3.97
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-5-[(1Z)-buta-1,3-dienyl]-2-[(E)-hept-3-en-4-yl]-1,4-dimethyl-4,5-dihydroimidazole?
The IUPAC name of (4R)-5-[(1Z)-buta-1,3-dienyl]-2-[(E)-hept-3-en-4-yl]-1,4-dimethyl-4,5-dihydroimidazole (CID 89192494) is (4R)-5-[(1Z)-buta-1,3-dienyl]-2-[(E)-hept-3-en-4-yl]-1,4-dimethyl-4,5-dihydroimidazole.
What is the SMILES notation for (4R)-5-[(1Z)-buta-1,3-dienyl]-2-[(E)-hept-3-en-4-yl]-1,4-dimethyl-4,5-dihydroimidazole?
The canonical SMILES for (4R)-5-[(1Z)-buta-1,3-dienyl]-2-[(E)-hept-3-en-4-yl]-1,4-dimethyl-4,5-dihydroimidazole is C=C/C=C\C1[C@@H](C)N=C(/C(=C/CC)CCC)N1C.
What is the InChIKey of (4R)-5-[(1Z)-buta-1,3-dienyl]-2-[(E)-hept-3-en-4-yl]-1,4-dimethyl-4,5-dihydroimidazole?
The InChIKey is USVUGVHNFMXGHQ-VEYRYAOMSA-N. The full InChI is InChI=1S/C16H26N2/c1-6-9-12-15-13(4)17-16(18(15)5)14(10-7-2)11-8-3/h6,9-10,12-13,15H,1,7-8,11H2,2-5H3/b12-9-,14-10+/t13-,15?/m1/s1.
What are the key properties of (4R)-5-[(1Z)-buta-1,3-dienyl]-2-[(E)-hept-3-en-4-yl]-1,4-dimethyl-4,5-dihydroimidazole?
(4R)-5-[(1Z)-buta-1,3-dienyl]-2-[(E)-hept-3-en-4-yl]-1,4-dimethyl-4,5-dihydroimidazole has a molecular weight of 246.40 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-[(1Z)-buta-1,3-dienyl]-2-[(E)-hept-3-en-4-yl]-1,4-dimethyl-4,5-dihydroimidazole is sourced from PubChem (CID 89192494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).