4-[1-[cyclohexa-2,4-dien-1-yl(cyclohexen-1-yl)methyl]-4,5-dihydroimidazol-2-yl]cyclohex-3-en-1-amine

C22H31N3 — CID 91068673

IUPAC4-[1-[cyclohexa-2,4-dien-1-yl(cyclohexen-1-yl)methyl]-4,5-dihydroimidazol-2-yl]cyclohex-3-en-1-amine
SMILESNC1CC=C(C2=NCCN2C(C2=CCCCC2)C2C=CC=CC2)CC1
InChIInChI=1S/C22H31N3/c23-20-13-11-19(12-14-20)22-24-15-16-25(22)21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1,3-4,7,9,11,17,20-21H,2,5-6,8,10,12-16,23H2
InChIKeyNHBYOBTYEVVNSM-UHFFFAOYSA-N
MW337.51 g/mol
LogP4.14
Rot. Bonds4

About 4-[1-[cyclohexa-2,4-dien-1-yl(cyclohexen-1-yl)methyl]-4,5-dihydroimidazol-2-yl]cyclohex-3-en-1-amine

4-[1-[cyclohexa-2,4-dien-1-yl(cyclohexen-1-yl)methyl]-4,5-dihydroimidazol-2-yl]cyclohex-3-en-1-amine (PubChem CID 91068673) has the molecular formula C22H31N3 and a molecular weight of 337.51 g/mol. Its IUPAC name is 4-[1-[cyclohexa-2,4-dien-1-yl(cyclohexen-1-yl)methyl]-4,5-dihydroimidazol-2-yl]cyclohex-3-en-1-amine.

Molecular Properties

Compound Name4-[1-[cyclohexa-2,4-dien-1-yl(cyclohexen-1-yl)methyl]-4,5-dihydroimidazol-2-yl]cyclohex-3-en-1-amine
PubChem CID91068673
Molecular FormulaC22H31N3
Molecular Weight337.51 g/mol
Exact Mass337.25
IUPAC Name4-[1-[cyclohexa-2,4-dien-1-yl(cyclohexen-1-yl)methyl]-4,5-dihydroimidazol-2-yl]cyclohex-3-en-1-amine
SMILESNC1CC=C(C2=NCCN2C(C2=CCCCC2)C2C=CC=CC2)CC1
InChIInChI=1S/C22H31N3/c23-20-13-11-19(12-14-20)22-24-15-16-25(22)21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1,3-4,7,9,11,17,20-21H,2,5-6,8,10,12-16,23H2
InChIKeyNHBYOBTYEVVNSM-UHFFFAOYSA-N
XLogP4.14
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-[1-[cyclohexa-2,4-dien-1-yl(cyclohexen-1-yl)methyl]-4,5-dihydroimidazol-2-yl]cyclohex-3-en-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[1-[cyclohexa-2,4-dien-1-yl(cyclohexen-1-yl)methyl]-4,5-dihydroimidazol-2-yl]cyclohex-3-en-1-amine?
The IUPAC name of 4-[1-[cyclohexa-2,4-dien-1-yl(cyclohexen-1-yl)methyl]-4,5-dihydroimidazol-2-yl]cyclohex-3-en-1-amine (CID 91068673) is 4-[1-[cyclohexa-2,4-dien-1-yl(cyclohexen-1-yl)methyl]-4,5-dihydroimidazol-2-yl]cyclohex-3-en-1-amine.
What is the SMILES notation for 4-[1-[cyclohexa-2,4-dien-1-yl(cyclohexen-1-yl)methyl]-4,5-dihydroimidazol-2-yl]cyclohex-3-en-1-amine?
The canonical SMILES for 4-[1-[cyclohexa-2,4-dien-1-yl(cyclohexen-1-yl)methyl]-4,5-dihydroimidazol-2-yl]cyclohex-3-en-1-amine is NC1CC=C(C2=NCCN2C(C2=CCCCC2)C2C=CC=CC2)CC1.
What is the InChIKey of 4-[1-[cyclohexa-2,4-dien-1-yl(cyclohexen-1-yl)methyl]-4,5-dihydroimidazol-2-yl]cyclohex-3-en-1-amine?
The InChIKey is NHBYOBTYEVVNSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3/c23-20-13-11-19(12-14-20)22-24-15-16-25(22)21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1,3-4,7,9,11,17,20-21H,2,5-6,8,10,12-16,23H2.
What are the key properties of 4-[1-[cyclohexa-2,4-dien-1-yl(cyclohexen-1-yl)methyl]-4,5-dihydroimidazol-2-yl]cyclohex-3-en-1-amine?
4-[1-[cyclohexa-2,4-dien-1-yl(cyclohexen-1-yl)methyl]-4,5-dihydroimidazol-2-yl]cyclohex-3-en-1-amine has a molecular weight of 337.51 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[cyclohexa-2,4-dien-1-yl(cyclohexen-1-yl)methyl]-4,5-dihydroimidazol-2-yl]cyclohex-3-en-1-amine is sourced from PubChem (CID 91068673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).