2-[4-(4,5-dihydro-1H-imidazol-2-yl)but-2-enyl]-4,5-dihydro-1H-imidazole

C10H16N4 — CID 139882723

IUPAC2-[4-(4,5-dihydro-1H-imidazol-2-yl)but-2-enyl]-4,5-dihydro-1H-imidazole
SMILESC(=CCC1=NCCN1)CC1=NCCN1
InChIInChI=1S/C10H16N4/c1(3-9-11-5-6-12-9)2-4-10-13-7-8-14-10/h1-2H,3-8H2,(H,11,12)(H,13,14)
InChIKeyYEFWIHKXUVEVJQ-UHFFFAOYSA-N
MW192.27 g/mol
LogP0.33
Rot. Bonds4

About 2-[4-(4,5-dihydro-1H-imidazol-2-yl)but-2-enyl]-4,5-dihydro-1H-imidazole

2-[4-(4,5-dihydro-1H-imidazol-2-yl)but-2-enyl]-4,5-dihydro-1H-imidazole (PubChem CID 139882723) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is 2-[4-(4,5-dihydro-1H-imidazol-2-yl)but-2-enyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[4-(4,5-dihydro-1H-imidazol-2-yl)but-2-enyl]-4,5-dihydro-1H-imidazole
PubChem CID139882723
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name2-[4-(4,5-dihydro-1H-imidazol-2-yl)but-2-enyl]-4,5-dihydro-1H-imidazole
SMILESC(=CCC1=NCCN1)CC1=NCCN1
InChIInChI=1S/C10H16N4/c1(3-9-11-5-6-12-9)2-4-10-13-7-8-14-10/h1-2H,3-8H2,(H,11,12)(H,13,14)
InChIKeyYEFWIHKXUVEVJQ-UHFFFAOYSA-N
XLogP0.33
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Qxhjbiadxofkqz-nscuhmnnsa-
CID 13088312
2-[(3E,5E)-hepta-3,5-dienyl]-4,5-dihydro-1H-imidazole
CID 101024438
2-(2,3-dihydro-1H-pyrrol-5-ylmethyl)-4,5-dihydro-1H-imidazole
CID 20692443
2-prop-2-enyl-4,5-dihydro-1H-imidazole
CID 57454900
N-[2-(3-methyl-2-prop-2-enyl-4,5-dihydroimidazol-3-ium-1-yl)ethyl]prop-2-en-1-amine
CID 69191892
N-[2-(2-prop-2-enyl-4,5-dihydroimidazol-1-yl)ethyl]prop-2-en-1-amine
CID 70599547
2-undec-2-enyl-4,5-dihydro-1H-imidazole
CID 70610091
bis(ethane-1,2-diamine);2-prop-2-enyl-4,5-dihydro-1H-imidazole
CID 89311035
2-pent-2-enyl-4,5-dihydro-1H-imidazole
CID 90193128
N'-methyl-N-[2-(propylamino)ethyl]pent-2-enimidamide
CID 123457161
2-[5-(4,5-dihydro-1H-imidazol-2-yl)-2-ethylpent-3-enyl]-4,5-dihydro-1H-imidazole
CID 139882722
2-ethyl-4,5-dihydro-1H-imidazole;(Z)-1-iodopent-2-ene
CID 141808173

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4,5-dihydro-1H-imidazol-2-yl)but-2-enyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[4-(4,5-dihydro-1H-imidazol-2-yl)but-2-enyl]-4,5-dihydro-1H-imidazole (CID 139882723) is 2-[4-(4,5-dihydro-1H-imidazol-2-yl)but-2-enyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[4-(4,5-dihydro-1H-imidazol-2-yl)but-2-enyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[4-(4,5-dihydro-1H-imidazol-2-yl)but-2-enyl]-4,5-dihydro-1H-imidazole is C(=CCC1=NCCN1)CC1=NCCN1.
What is the InChIKey of 2-[4-(4,5-dihydro-1H-imidazol-2-yl)but-2-enyl]-4,5-dihydro-1H-imidazole?
The InChIKey is YEFWIHKXUVEVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4/c1(3-9-11-5-6-12-9)2-4-10-13-7-8-14-10/h1-2H,3-8H2,(H,11,12)(H,13,14).
What are the key properties of 2-[4-(4,5-dihydro-1H-imidazol-2-yl)but-2-enyl]-4,5-dihydro-1H-imidazole?
2-[4-(4,5-dihydro-1H-imidazol-2-yl)but-2-enyl]-4,5-dihydro-1H-imidazole has a molecular weight of 192.27 g/mol, XLogP of 0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4,5-dihydro-1H-imidazol-2-yl)but-2-enyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 139882723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).