cis-(1R,3S)-3-[[2-(2,3-dichlorophenyl)imidazol-1-yl]methyl]cyclohexan-1-amine

C16H19Cl2N3 — CID 154568600

IUPACcis-(1R,3S)-3-[[2-(2,3-dichlorophenyl)imidazol-1-yl]methyl]cyclohexan-1-amine
SMILESN[C@@H]1CCC[C@H](Cn2ccnc2-c2cccc(Cl)c2Cl)C1
InChIInChI=1S/C16H19Cl2N3/c17-14-6-2-5-13(15(14)18)16-20-7-8-21(16)10-11-3-1-4-12(19)9-11/h2,5-8,11-12H,1,3-4,9-10,19H2/t11-,12+/m0/s1
InChIKeyBGCIWTVLTQQHRG-NWDGAFQWSA-N
MW324.25 g/mol
LogP4.37
Rot. Bonds3

About cis-(1R,3S)-3-[[2-(2,3-dichlorophenyl)imidazol-1-yl]methyl]cyclohexan-1-amine

cis-(1R,3S)-3-[[2-(2,3-dichlorophenyl)imidazol-1-yl]methyl]cyclohexan-1-amine (PubChem CID 154568600) has the molecular formula C16H19Cl2N3 and a molecular weight of 324.25 g/mol. Its IUPAC name is cis-(1R,3S)-3-[[2-(2,3-dichlorophenyl)imidazol-1-yl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1R,3S)-3-[[2-(2,3-dichlorophenyl)imidazol-1-yl]methyl]cyclohexan-1-amine
PubChem CID154568600
Molecular FormulaC16H19Cl2N3
Molecular Weight324.25 g/mol
Exact Mass323.10
IUPAC Namecis-(1R,3S)-3-[[2-(2,3-dichlorophenyl)imidazol-1-yl]methyl]cyclohexan-1-amine
SMILESN[C@@H]1CCC[C@H](Cn2ccnc2-c2cccc(Cl)c2Cl)C1
InChIInChI=1S/C16H19Cl2N3/c17-14-6-2-5-13(15(14)18)16-20-7-8-21(16)10-11-3-1-4-12(19)9-11/h2,5-8,11-12H,1,3-4,9-10,19H2/t11-,12+/m0/s1
InChIKeyBGCIWTVLTQQHRG-NWDGAFQWSA-N
XLogP4.37
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.25
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze cis-(1R,3S)-3-[[2-(2,3-dichlorophenyl)imidazol-1-yl]methyl]cyclohexan-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

Related Compounds

1-(cyclopentylmethyl)-2-(2,6-dichlorophenyl)imidazole
CID 165428017
cis-(1R,3S)-3-[[2-(2-fluoro-5-methoxyphenyl)imidazol-1-yl]methyl]cyclohexan-1-amine
CID 154567236
2-(2,3-dichlorophenyl)-1-methylimidazole
CID 110540593
3-[(2-methylpyrrol-1-yl)methyl]cyclohexan-1-amine
CID 141374044
4-[1-(cyclobutylmethyl)imidazol-2-yl]aniline
CID 65458282
1-(cyclobutylmethyl)-2-thiophen-2-ylimidazole
CID 115917906
4-[[2-(2,3-dichlorophenyl)imidazol-1-yl]methyl]benzonitrile
CID 82561753
4-[1-[[(3R)-oxan-3-yl]methyl]imidazol-2-yl]-2,1,3-benzoxadiazole
CID 95554101
methyl 4-[[2-(2,3-dichlorophenyl)imidazol-1-yl]methyl]benzoate
CID 82561375
3,5-bis(2,3-dichlorophenyl)-4-methyl-1,2,4-triazole
CID 11617680
3-(indazol-1-ylmethyl)cyclohexan-1-amine
CID 67985266
(3R)-3-[[2-(4-chloro-1-methylindazol-3-yl)imidazol-1-yl]methyl]thiolane 1,1-dioxide
CID 95558582

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[[2-(2,3-dichlorophenyl)imidazol-1-yl]methyl]cyclohexan-1-amine?
The IUPAC name of cis-(1R,3S)-3-[[2-(2,3-dichlorophenyl)imidazol-1-yl]methyl]cyclohexan-1-amine (CID 154568600) is cis-(1R,3S)-3-[[2-(2,3-dichlorophenyl)imidazol-1-yl]methyl]cyclohexan-1-amine.
What is the SMILES notation for cis-(1R,3S)-3-[[2-(2,3-dichlorophenyl)imidazol-1-yl]methyl]cyclohexan-1-amine?
The canonical SMILES for cis-(1R,3S)-3-[[2-(2,3-dichlorophenyl)imidazol-1-yl]methyl]cyclohexan-1-amine is N[C@@H]1CCC[C@H](Cn2ccnc2-c2cccc(Cl)c2Cl)C1.
What is the InChIKey of cis-(1R,3S)-3-[[2-(2,3-dichlorophenyl)imidazol-1-yl]methyl]cyclohexan-1-amine?
The InChIKey is BGCIWTVLTQQHRG-NWDGAFQWSA-N. The full InChI is InChI=1S/C16H19Cl2N3/c17-14-6-2-5-13(15(14)18)16-20-7-8-21(16)10-11-3-1-4-12(19)9-11/h2,5-8,11-12H,1,3-4,9-10,19H2/t11-,12+/m0/s1.
What are the key properties of cis-(1R,3S)-3-[[2-(2,3-dichlorophenyl)imidazol-1-yl]methyl]cyclohexan-1-amine?
cis-(1R,3S)-3-[[2-(2,3-dichlorophenyl)imidazol-1-yl]methyl]cyclohexan-1-amine has a molecular weight of 324.25 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[[2-(2,3-dichlorophenyl)imidazol-1-yl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 154568600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).