2-cyclohepta-2,4,6-trien-1-yl-4,5-dihydro-1H-imidazole

C10H12N2 — CID 5251372

IUPAC2-cyclohepta-2,4,6-trien-1-yl-4,5-dihydro-1H-imidazole
SMILESC1=CC=CC(C2=NCCN2)C=C1
InChIInChI=1S/C10H12N2/c1-2-4-6-9(5-3-1)10-11-7-8-12-10/h1-6,9H,7-8H2,(H,11,12)
InChIKeyQTYATCKLNYTAOI-UHFFFAOYSA-N
MW160.22 g/mol
LogP1.29
Rot. Bonds1

About 2-cyclohepta-2,4,6-trien-1-yl-4,5-dihydro-1H-imidazole

2-cyclohepta-2,4,6-trien-1-yl-4,5-dihydro-1H-imidazole (PubChem CID 5251372) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 2-cyclohepta-2,4,6-trien-1-yl-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-cyclohepta-2,4,6-trien-1-yl-4,5-dihydro-1H-imidazole
PubChem CID5251372
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name2-cyclohepta-2,4,6-trien-1-yl-4,5-dihydro-1H-imidazole
SMILESC1=CC=CC(C2=NCCN2)C=C1
InChIInChI=1S/C10H12N2/c1-2-4-6-9(5-3-1)10-11-7-8-12-10/h1-6,9H,7-8H2,(H,11,12)
InChIKeyQTYATCKLNYTAOI-UHFFFAOYSA-N
XLogP1.29
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

benzene;2-cyclopropyl-4,5-dihydro-1H-imidazole
CID 145110900
2-(6-benzylsulfanylcyclohexa-2,4-dien-1-yl)-4,5-dihydro-1H-imidazole
CID 142160802
1-(4,5-dihydro-1H-imidazol-2-yl)-1,3-dihydroisoindol-2-amine
CID 19881180
2-[(1S)-2,2-bis(4-methylphenyl)cyclopropyl]-4,5-dihydro-1H-imidazole
CID 101491042
molecular hydrogen;2-(2-phenylcyclopropyl)-4,5-dihydro-1H-imidazole
CID 145111128
2-(cyclohexa-2,4-dien-1-yloxymethyl)-4,5-dihydro-1H-imidazole
CID 121450444
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4,5-dihydro-1H-imidazole;hydrate
CID 66774628
N-cyclopropyl-N-(piperidin-4-ylmethyl)-4,5-dihydro-1H-imidazol-2-amine
CID 114400593
2-(4,5-dihydro-1H-imidazol-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride
CID 54602799
2-cyclopentyl-1,4,5,6-tetrahydropyrimidine
CID 130566153
5-[5-(4,5-dihydro-1H-imidazol-2-yl)oxolan-2-yl]-4,5-dihydro-1,3-oxazole
CID 123186816
ethane;2-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dihydro-1H-imidazole
CID 91000724

Frequently Asked Questions

What is the IUPAC name of 2-cyclohepta-2,4,6-trien-1-yl-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-cyclohepta-2,4,6-trien-1-yl-4,5-dihydro-1H-imidazole (CID 5251372) is 2-cyclohepta-2,4,6-trien-1-yl-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-cyclohepta-2,4,6-trien-1-yl-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-cyclohepta-2,4,6-trien-1-yl-4,5-dihydro-1H-imidazole is C1=CC=CC(C2=NCCN2)C=C1.
What is the InChIKey of 2-cyclohepta-2,4,6-trien-1-yl-4,5-dihydro-1H-imidazole?
The InChIKey is QTYATCKLNYTAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-2-4-6-9(5-3-1)10-11-7-8-12-10/h1-6,9H,7-8H2,(H,11,12).
What are the key properties of 2-cyclohepta-2,4,6-trien-1-yl-4,5-dihydro-1H-imidazole?
2-cyclohepta-2,4,6-trien-1-yl-4,5-dihydro-1H-imidazole has a molecular weight of 160.22 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohepta-2,4,6-trien-1-yl-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 5251372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).