2-[(E)-2-phenylethenyl]-4,5-dihydro-1H-imidazole

C11H12N2 — CID 6455104

IUPAC2-[(E)-2-phenylethenyl]-4,5-dihydro-1H-imidazole
SMILESC(=C/c1ccccc1)\C1=NCCN1
InChIInChI=1S/C11H12N2/c1-2-4-10(5-3-1)6-7-11-12-8-9-13-11/h1-7H,8-9H2,(H,12,13)/b7-6+
InChIKeyIGISUADTPSLENQ-VOTSOKGWSA-N
MW172.23 g/mol
LogP1.70
Rot. Bonds2

About 2-[(E)-2-phenylethenyl]-4,5-dihydro-1H-imidazole

2-[(E)-2-phenylethenyl]-4,5-dihydro-1H-imidazole (PubChem CID 6455104) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 2-[(E)-2-phenylethenyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[(E)-2-phenylethenyl]-4,5-dihydro-1H-imidazole
PubChem CID6455104
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name2-[(E)-2-phenylethenyl]-4,5-dihydro-1H-imidazole
SMILESC(=C/c1ccccc1)\C1=NCCN1
InChIInChI=1S/C11H12N2/c1-2-4-10(5-3-1)6-7-11-12-8-9-13-11/h1-7H,8-9H2,(H,12,13)/b7-6+
InChIKeyIGISUADTPSLENQ-VOTSOKGWSA-N
XLogP1.70
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-phenylethenyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[(E)-2-phenylethenyl]-4,5-dihydro-1H-imidazole (CID 6455104) is 2-[(E)-2-phenylethenyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[(E)-2-phenylethenyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[(E)-2-phenylethenyl]-4,5-dihydro-1H-imidazole is C(=C/c1ccccc1)\C1=NCCN1.
What is the InChIKey of 2-[(E)-2-phenylethenyl]-4,5-dihydro-1H-imidazole?
The InChIKey is IGISUADTPSLENQ-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H12N2/c1-2-4-10(5-3-1)6-7-11-12-8-9-13-11/h1-7H,8-9H2,(H,12,13)/b7-6+.
What are the key properties of 2-[(E)-2-phenylethenyl]-4,5-dihydro-1H-imidazole?
2-[(E)-2-phenylethenyl]-4,5-dihydro-1H-imidazole has a molecular weight of 172.23 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-phenylethenyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 6455104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).