1-(cyclohepta-1,3,5-trien-1-ylmethyl)imidazole

C11H12N2 — CID 12899030

IUPAC1-(cyclohepta-1,3,5-trien-1-ylmethyl)imidazole
SMILESC1=CC=C(Cn2ccnc2)CC=C1
InChIInChI=1S/C11H12N2/c1-2-4-6-11(5-3-1)9-13-8-7-12-10-13/h1-5,7-8,10H,6,9H2
InChIKeyZHBMROCKZGDCRU-UHFFFAOYSA-N
MW172.23 g/mol
LogP2.33
Rot. Bonds2

About 1-(cyclohepta-1,3,5-trien-1-ylmethyl)imidazole

1-(cyclohepta-1,3,5-trien-1-ylmethyl)imidazole (PubChem CID 12899030) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 1-(cyclohepta-1,3,5-trien-1-ylmethyl)imidazole.

Molecular Properties

Compound Name1-(cyclohepta-1,3,5-trien-1-ylmethyl)imidazole
PubChem CID12899030
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name1-(cyclohepta-1,3,5-trien-1-ylmethyl)imidazole
SMILESC1=CC=C(Cn2ccnc2)CC=C1
InChIInChI=1S/C11H12N2/c1-2-4-6-11(5-3-1)9-13-8-7-12-10-13/h1-5,7-8,10H,6,9H2
InChIKeyZHBMROCKZGDCRU-UHFFFAOYSA-N
XLogP2.33
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 20148469
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4-imidazol-1-yl-1-methyl-3,6-dihydro-2H-pyridine
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1-methyl-3-[(1E,5E,9E)-2,6,10,14-tetramethylpentadeca-1,5,9,13-tetraenyl]imidazol-1-ium bromide
CID 44429842
1-methyl-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]imidazol-3-ium
CID 49767911
1-methyl-2-[(1E,5Z)-octa-1,5-dienyl]imidazole
CID 10954357
1-(2-Methyl-2-propen-1-yl)-1H-imidazole
CID 13045368
N-geranylimidazol
CID 13309275
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CID 153846555

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohepta-1,3,5-trien-1-ylmethyl)imidazole?
The IUPAC name of 1-(cyclohepta-1,3,5-trien-1-ylmethyl)imidazole (CID 12899030) is 1-(cyclohepta-1,3,5-trien-1-ylmethyl)imidazole.
What is the SMILES notation for 1-(cyclohepta-1,3,5-trien-1-ylmethyl)imidazole?
The canonical SMILES for 1-(cyclohepta-1,3,5-trien-1-ylmethyl)imidazole is C1=CC=C(Cn2ccnc2)CC=C1.
What is the InChIKey of 1-(cyclohepta-1,3,5-trien-1-ylmethyl)imidazole?
The InChIKey is ZHBMROCKZGDCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2/c1-2-4-6-11(5-3-1)9-13-8-7-12-10-13/h1-5,7-8,10H,6,9H2.
What are the key properties of 1-(cyclohepta-1,3,5-trien-1-ylmethyl)imidazole?
1-(cyclohepta-1,3,5-trien-1-ylmethyl)imidazole has a molecular weight of 172.23 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohepta-1,3,5-trien-1-ylmethyl)imidazole is sourced from PubChem (CID 12899030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).