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

C15H17N3 — CID 106575953

IUPACN-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-cyclopropylimidazol-2-amine
SMILESc1ccc2c(c1)CC2CNc1nccn1C1CC1
InChIInChI=1S/C15H17N3/c1-2-4-14-11(3-1)9-12(14)10-17-15-16-7-8-18(15)13-5-6-13/h1-4,7-8,12-13H,5-6,9-10H2,(H,16,17)
InChIKeyMOBRDNMHYBDKOU-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.97
Rot. Bonds4

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

N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-cyclopropylimidazol-2-amine (PubChem CID 106575953) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-cyclopropylimidazol-2-amine.

Molecular Properties

Compound NameN-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-cyclopropylimidazol-2-amine
PubChem CID106575953
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC NameN-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-cyclopropylimidazol-2-amine
SMILESc1ccc2c(c1)CC2CNc1nccn1C1CC1
InChIInChI=1S/C15H17N3/c1-2-4-14-11(3-1)9-12(14)10-17-15-16-7-8-18(15)13-5-6-13/h1-4,7-8,12-13H,5-6,9-10H2,(H,16,17)
InChIKeyMOBRDNMHYBDKOU-UHFFFAOYSA-N
XLogP2.97
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-cyclopropylimidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-1-cyclopropylimidazol-2-amine
CID 106555906
1-cyclopropyl-N-propylimidazol-2-amine
CID 106554744
1-cyclopropyl-N-(oxolan-2-ylmethyl)imidazol-2-amine
CID 106560101
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N-butylimidazol-2-amine
CID 106575931
4-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-N,6-dimethylpyrimidine-2,4-diamine
CID 80788844
1-cyclopentyl-N-(thian-2-ylmethyl)imidazol-2-amine
CID 106577148
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)cyclopentanamine
CID 60815828
1-cyclopropyl-N-(2-methylsulfanylpropyl)imidazol-2-amine
CID 106580964
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-8-bromoisoquinolin-1-amine
CID 166382515
1-(2,3-dihydro-1H-inden-1-yl)-N-prop-2-enylimidazol-2-amine
CID 106562783
3-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)pyridazine-4-carbonitrile
CID 80509990
1-cyclohexyl-N-[(2-ethylphenyl)methyl]imidazol-2-amine
CID 106574558

Frequently Asked Questions

What is the IUPAC name of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-cyclopropylimidazol-2-amine?
The IUPAC name of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-cyclopropylimidazol-2-amine (CID 106575953) is N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-cyclopropylimidazol-2-amine.
What is the SMILES notation for N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-cyclopropylimidazol-2-amine?
The canonical SMILES for N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-cyclopropylimidazol-2-amine is c1ccc2c(c1)CC2CNc1nccn1C1CC1.
What is the InChIKey of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-cyclopropylimidazol-2-amine?
The InChIKey is MOBRDNMHYBDKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-2-4-14-11(3-1)9-12(14)10-17-15-16-7-8-18(15)13-5-6-13/h1-4,7-8,12-13H,5-6,9-10H2,(H,16,17).
What are the key properties of N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-cyclopropylimidazol-2-amine?
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-cyclopropylimidazol-2-amine has a molecular weight of 239.32 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-1-cyclopropylimidazol-2-amine is sourced from PubChem (CID 106575953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).