N-[1-(5-chlorothiophen-2-yl)ethyl]-1-cyclohexyl-4-methylimidazol-2-amine

C16H22ClN3S — CID 106564522

IUPACN-[1-(5-chlorothiophen-2-yl)ethyl]-1-cyclohexyl-4-methylimidazol-2-amine
SMILESCc1cn(C2CCCCC2)c(NC(C)c2ccc(Cl)s2)n1
InChIInChI=1S/C16H22ClN3S/c1-11-10-20(13-6-4-3-5-7-13)16(18-11)19-12(2)14-8-9-15(17)21-14/h8-10,12-13H,3-7H2,1-2H3,(H,18,19)
InChIKeyCILBYSBPCGBYKO-UHFFFAOYSA-N
MW323.89 g/mol
LogP5.58
Rot. Bonds4

About N-[1-(5-chlorothiophen-2-yl)ethyl]-1-cyclohexyl-4-methylimidazol-2-amine

N-[1-(5-chlorothiophen-2-yl)ethyl]-1-cyclohexyl-4-methylimidazol-2-amine (PubChem CID 106564522) has the molecular formula C16H22ClN3S and a molecular weight of 323.89 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-2-yl)ethyl]-1-cyclohexyl-4-methylimidazol-2-amine.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-2-yl)ethyl]-1-cyclohexyl-4-methylimidazol-2-amine
PubChem CID106564522
Molecular FormulaC16H22ClN3S
Molecular Weight323.89 g/mol
Exact Mass323.12
IUPAC NameN-[1-(5-chlorothiophen-2-yl)ethyl]-1-cyclohexyl-4-methylimidazol-2-amine
SMILESCc1cn(C2CCCCC2)c(NC(C)c2ccc(Cl)s2)n1
InChIInChI=1S/C16H22ClN3S/c1-11-10-20(13-6-4-3-5-7-13)16(18-11)19-12(2)14-8-9-15(17)21-14/h8-10,12-13H,3-7H2,1-2H3,(H,18,19)
InChIKeyCILBYSBPCGBYKO-UHFFFAOYSA-N
XLogP5.58
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.89
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(5-chlorothiophen-2-yl)ethyl]-1-cyclopentyl-4-methylimidazol-2-amine
CID 106564534
1-cyclohexyl-4-methyl-N-(1-thiophen-2-ylethyl)imidazol-2-amine
CID 106562165
1-cyclopentyl-4-methyl-N-(1-thiophen-3-ylethyl)imidazol-2-amine
CID 106570905
1-cyclooctyl-4-methyl-N-(2-methylpropyl)imidazol-2-amine
CID 106557175
1-cyclohexyl-N-(2,6-dichlorophenyl)-4-methylimidazol-2-amine
CID 106574142
1-cyclohexyl-N-(1-ethylsulfanylpropan-2-yl)-4-methylimidazol-2-amine
CID 106582175
N-(5-chloro-2-methylphenyl)-1-cyclohexyl-4-methylimidazol-2-amine
CID 106560607
1-cyclohexyl-4-methyl-N-(3-methylbutyl)imidazol-2-amine
CID 106557289
N-[1-(5-chlorothiophen-2-yl)ethyl]cycloheptanamine
CID 43427139
1-cyclohexyl-4-methyl-N-(2-methylphenyl)imidazol-2-amine
CID 106560556
1-cyclohexyl-N-ethyl-4-methylimidazol-2-amine
CID 106554643
1-cyclohexyl-N-(2,6-dimethylphenyl)-4-methylimidazol-2-amine
CID 106559772

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-1-cyclohexyl-4-methylimidazol-2-amine?
The IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-1-cyclohexyl-4-methylimidazol-2-amine (CID 106564522) is N-[1-(5-chlorothiophen-2-yl)ethyl]-1-cyclohexyl-4-methylimidazol-2-amine.
What is the SMILES notation for N-[1-(5-chlorothiophen-2-yl)ethyl]-1-cyclohexyl-4-methylimidazol-2-amine?
The canonical SMILES for N-[1-(5-chlorothiophen-2-yl)ethyl]-1-cyclohexyl-4-methylimidazol-2-amine is Cc1cn(C2CCCCC2)c(NC(C)c2ccc(Cl)s2)n1.
What is the InChIKey of N-[1-(5-chlorothiophen-2-yl)ethyl]-1-cyclohexyl-4-methylimidazol-2-amine?
The InChIKey is CILBYSBPCGBYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3S/c1-11-10-20(13-6-4-3-5-7-13)16(18-11)19-12(2)14-8-9-15(17)21-14/h8-10,12-13H,3-7H2,1-2H3,(H,18,19).
What are the key properties of N-[1-(5-chlorothiophen-2-yl)ethyl]-1-cyclohexyl-4-methylimidazol-2-amine?
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-cyclohexyl-4-methylimidazol-2-amine has a molecular weight of 323.89 g/mol, XLogP of 5.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chlorothiophen-2-yl)ethyl]-1-cyclohexyl-4-methylimidazol-2-amine is sourced from PubChem (CID 106564522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).