N-cyclohexyl-1-[(4,5-dimethylthiophen-2-yl)methyl]-4-methylimidazol-2-amine

C17H25N3S — CID 106573878

IUPACN-cyclohexyl-1-[(4,5-dimethylthiophen-2-yl)methyl]-4-methylimidazol-2-amine
SMILESCc1cn(Cc2cc(C)c(C)s2)c(NC2CCCCC2)n1
InChIInChI=1S/C17H25N3S/c1-12-9-16(21-14(12)3)11-20-10-13(2)18-17(20)19-15-7-5-4-6-8-15/h9-10,15H,4-8,11H2,1-3H3,(H,18,19)
InChIKeyZKTZAEJNUNJQEQ-UHFFFAOYSA-N
MW303.48 g/mol
LogP4.66
Rot. Bonds4

About N-cyclohexyl-1-[(4,5-dimethylthiophen-2-yl)methyl]-4-methylimidazol-2-amine

N-cyclohexyl-1-[(4,5-dimethylthiophen-2-yl)methyl]-4-methylimidazol-2-amine (PubChem CID 106573878) has the molecular formula C17H25N3S and a molecular weight of 303.48 g/mol. Its IUPAC name is N-cyclohexyl-1-[(4,5-dimethylthiophen-2-yl)methyl]-4-methylimidazol-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-1-[(4,5-dimethylthiophen-2-yl)methyl]-4-methylimidazol-2-amine
PubChem CID106573878
Molecular FormulaC17H25N3S
Molecular Weight303.48 g/mol
Exact Mass303.18
IUPAC NameN-cyclohexyl-1-[(4,5-dimethylthiophen-2-yl)methyl]-4-methylimidazol-2-amine
SMILESCc1cn(Cc2cc(C)c(C)s2)c(NC2CCCCC2)n1
InChIInChI=1S/C17H25N3S/c1-12-9-16(21-14(12)3)11-20-10-13(2)18-17(20)19-15-7-5-4-6-8-15/h9-10,15H,4-8,11H2,1-3H3,(H,18,19)
InChIKeyZKTZAEJNUNJQEQ-UHFFFAOYSA-N
XLogP4.66
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.48
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-cyclohexyl-4-methylimidazol-2-amine
CID 106555915
N-cyclooctyl-4-methyl-1-propylimidazol-2-amine
CID 106557173
N-cyclohexyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methylimidazol-2-amine
CID 106576145
1-[(5-chlorothiophen-2-yl)methyl]-N-cyclopropyl-4-methylimidazol-2-amine
CID 106575435
N-cyclopentyl-1-[(3-fluorophenyl)methyl]-4-methylimidazol-2-amine
CID 106560946
1-[(3-bromophenyl)methyl]-N-cyclopentyl-4-methylimidazol-2-amine
CID 106569126
N-cyclohexyl-1-(2-cyclopropylpropyl)-4-methylimidazol-2-amine
CID 106580223
N-cyclohexyl-4-methyl-1-[(4-methylcyclohexyl)methyl]imidazol-2-amine
CID 106571766
1-[(3-chloro-4-fluorophenyl)methyl]-N-cyclopentyl-4-methylimidazol-2-amine
CID 106570212
N-cyclopentyl-1-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106554862
N-cyclohexyl-4-methyl-1-(3-pyrrolidin-1-ylpropyl)imidazol-2-amine
CID 106572074
1-[(4,5-dimethylthiophen-2-yl)methyl]-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106573869

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-[(4,5-dimethylthiophen-2-yl)methyl]-4-methylimidazol-2-amine?
The IUPAC name of N-cyclohexyl-1-[(4,5-dimethylthiophen-2-yl)methyl]-4-methylimidazol-2-amine (CID 106573878) is N-cyclohexyl-1-[(4,5-dimethylthiophen-2-yl)methyl]-4-methylimidazol-2-amine.
What is the SMILES notation for N-cyclohexyl-1-[(4,5-dimethylthiophen-2-yl)methyl]-4-methylimidazol-2-amine?
The canonical SMILES for N-cyclohexyl-1-[(4,5-dimethylthiophen-2-yl)methyl]-4-methylimidazol-2-amine is Cc1cn(Cc2cc(C)c(C)s2)c(NC2CCCCC2)n1.
What is the InChIKey of N-cyclohexyl-1-[(4,5-dimethylthiophen-2-yl)methyl]-4-methylimidazol-2-amine?
The InChIKey is ZKTZAEJNUNJQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3S/c1-12-9-16(21-14(12)3)11-20-10-13(2)18-17(20)19-15-7-5-4-6-8-15/h9-10,15H,4-8,11H2,1-3H3,(H,18,19).
What are the key properties of N-cyclohexyl-1-[(4,5-dimethylthiophen-2-yl)methyl]-4-methylimidazol-2-amine?
N-cyclohexyl-1-[(4,5-dimethylthiophen-2-yl)methyl]-4-methylimidazol-2-amine has a molecular weight of 303.48 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-[(4,5-dimethylthiophen-2-yl)methyl]-4-methylimidazol-2-amine is sourced from PubChem (CID 106573878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).