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

C15H20ClN3S — CID 106564534

IUPACN-[1-(5-chlorothiophen-2-yl)ethyl]-1-cyclopentyl-4-methylimidazol-2-amine
SMILESCc1cn(C2CCCC2)c(NC(C)c2ccc(Cl)s2)n1
InChIInChI=1S/C15H20ClN3S/c1-10-9-19(12-5-3-4-6-12)15(17-10)18-11(2)13-7-8-14(16)20-13/h7-9,11-12H,3-6H2,1-2H3,(H,17,18)
InChIKeyDWNJEKCAOXSPAA-UHFFFAOYSA-N
MW309.87 g/mol
LogP5.19
Rot. Bonds4

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

N-[1-(5-chlorothiophen-2-yl)ethyl]-1-cyclopentyl-4-methylimidazol-2-amine (PubChem CID 106564534) has the molecular formula C15H20ClN3S and a molecular weight of 309.87 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-2-yl)ethyl]-1-cyclopentyl-4-methylimidazol-2-amine.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-2-yl)ethyl]-1-cyclopentyl-4-methylimidazol-2-amine
PubChem CID106564534
Molecular FormulaC15H20ClN3S
Molecular Weight309.87 g/mol
Exact Mass309.11
IUPAC NameN-[1-(5-chlorothiophen-2-yl)ethyl]-1-cyclopentyl-4-methylimidazol-2-amine
SMILESCc1cn(C2CCCC2)c(NC(C)c2ccc(Cl)s2)n1
InChIInChI=1S/C15H20ClN3S/c1-10-9-19(12-5-3-4-6-12)15(17-10)18-11(2)13-7-8-14(16)20-13/h7-9,11-12H,3-6H2,1-2H3,(H,17,18)
InChIKeyDWNJEKCAOXSPAA-UHFFFAOYSA-N
XLogP5.19
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.87
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(5-chlorothiophen-2-yl)ethyl]-1-cyclohexyl-4-methylimidazol-2-amine
CID 106564522
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
1-cyclopentyl-N-(1-cyclopropylbutan-2-yl)-4-methylimidazol-2-amine
CID 106573524
N-(2-chloro-6-methylphenyl)-1-cyclopentyl-4-methylimidazol-2-amine
CID 106576267
N-[1-(5-chlorothiophen-2-yl)ethyl]cycloheptanamine
CID 43427139
1-cyclohexyl-4-methyl-N-(2-methylphenyl)imidazol-2-amine
CID 106560556

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-1-cyclopentyl-4-methylimidazol-2-amine?
The IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-1-cyclopentyl-4-methylimidazol-2-amine (CID 106564534) is N-[1-(5-chlorothiophen-2-yl)ethyl]-1-cyclopentyl-4-methylimidazol-2-amine.
What is the SMILES notation for N-[1-(5-chlorothiophen-2-yl)ethyl]-1-cyclopentyl-4-methylimidazol-2-amine?
The canonical SMILES for N-[1-(5-chlorothiophen-2-yl)ethyl]-1-cyclopentyl-4-methylimidazol-2-amine is Cc1cn(C2CCCC2)c(NC(C)c2ccc(Cl)s2)n1.
What is the InChIKey of N-[1-(5-chlorothiophen-2-yl)ethyl]-1-cyclopentyl-4-methylimidazol-2-amine?
The InChIKey is DWNJEKCAOXSPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3S/c1-10-9-19(12-5-3-4-6-12)15(17-10)18-11(2)13-7-8-14(16)20-13/h7-9,11-12H,3-6H2,1-2H3,(H,17,18).
What are the key properties of N-[1-(5-chlorothiophen-2-yl)ethyl]-1-cyclopentyl-4-methylimidazol-2-amine?
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-cyclopentyl-4-methylimidazol-2-amine has a molecular weight of 309.87 g/mol, XLogP of 5.19, 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-cyclopentyl-4-methylimidazol-2-amine is sourced from PubChem (CID 106564534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).