1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-methylimidazol-2-amine

C13H15N3 — CID 106575971

IUPAC1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-methylimidazol-2-amine
SMILESCc1cn(CC2Cc3ccccc32)c(N)n1
InChIInChI=1S/C13H15N3/c1-9-7-16(13(14)15-9)8-11-6-10-4-2-3-5-12(10)11/h2-5,7,11H,6,8H2,1H3,(H2,14,15)
InChIKeyIYKDRYVPDCXTKP-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.11
Rot. Bonds2

About 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-methylimidazol-2-amine

1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-methylimidazol-2-amine (PubChem CID 106575971) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-methylimidazol-2-amine
PubChem CID106575971
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-methylimidazol-2-amine
SMILESCc1cn(CC2Cc3ccccc32)c(N)n1
InChIInChI=1S/C13H15N3/c1-9-7-16(13(14)15-9)8-11-6-10-4-2-3-5-12(10)11/h2-5,7,11H,6,8H2,1H3,(H2,14,15)
InChIKeyIYKDRYVPDCXTKP-UHFFFAOYSA-N
XLogP2.11
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-ethylimidazole-4-sulfonamide
CID 81342287
7-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 66407572
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-iodo-4-methylpyridin-2-one
CID 79784821
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-methylindole
CID 116620411
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-6-chlorobenzimidazol-2-amine
CID 115470692
3-amino-1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-bromopyridin-4-one
CID 103961790
3-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1,3-thiazol-2-one
CID 116622648
4-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazol-2-amine
CID 106569535
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-(1-chloropropyl)triazole
CID 113482950
[(1R,1aR,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]methanamine
CID 96542205
7-(bromomethyl)bicyclo[4.2.0]octa-1,3,5-triene
CID 65438345
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N-butylimidazol-2-amine
CID 106575931

Frequently Asked Questions

What is the IUPAC name of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-methylimidazol-2-amine?
The IUPAC name of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-methylimidazol-2-amine (CID 106575971) is 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-methylimidazol-2-amine.
What is the SMILES notation for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-methylimidazol-2-amine?
The canonical SMILES for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-methylimidazol-2-amine is Cc1cn(CC2Cc3ccccc32)c(N)n1.
What is the InChIKey of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-methylimidazol-2-amine?
The InChIKey is IYKDRYVPDCXTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-9-7-16(13(14)15-9)8-11-6-10-4-2-3-5-12(10)11/h2-5,7,11H,6,8H2,1H3,(H2,14,15).
What are the key properties of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-methylimidazol-2-amine?
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-methylimidazol-2-amine has a molecular weight of 213.28 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106575971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).