N-cyclohexyl-1-[(4-methylthiophen-3-yl)methyl]imidazol-2-amine

C15H21N3S — CID 106577389

IUPACN-cyclohexyl-1-[(4-methylthiophen-3-yl)methyl]imidazol-2-amine
SMILESCc1cscc1Cn1ccnc1NC1CCCCC1
InChIInChI=1S/C15H21N3S/c1-12-10-19-11-13(12)9-18-8-7-16-15(18)17-14-5-3-2-4-6-14/h7-8,10-11,14H,2-6,9H2,1H3,(H,16,17)
InChIKeyRLJAFCWZFHYJKC-UHFFFAOYSA-N
MW275.42 g/mol
LogP4.05
Rot. Bonds4

About N-cyclohexyl-1-[(4-methylthiophen-3-yl)methyl]imidazol-2-amine

N-cyclohexyl-1-[(4-methylthiophen-3-yl)methyl]imidazol-2-amine (PubChem CID 106577389) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is N-cyclohexyl-1-[(4-methylthiophen-3-yl)methyl]imidazol-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-1-[(4-methylthiophen-3-yl)methyl]imidazol-2-amine
PubChem CID106577389
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC NameN-cyclohexyl-1-[(4-methylthiophen-3-yl)methyl]imidazol-2-amine
SMILESCc1cscc1Cn1ccnc1NC1CCCCC1
InChIInChI=1S/C15H21N3S/c1-12-10-19-11-13(12)9-18-8-7-16-15(18)17-14-5-3-2-4-6-14/h7-8,10-11,14H,2-6,9H2,1H3,(H,16,17)
InChIKeyRLJAFCWZFHYJKC-UHFFFAOYSA-N
XLogP4.05
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-[(4-methylthiophen-3-yl)methyl]imidazol-2-amine?
The IUPAC name of N-cyclohexyl-1-[(4-methylthiophen-3-yl)methyl]imidazol-2-amine (CID 106577389) is N-cyclohexyl-1-[(4-methylthiophen-3-yl)methyl]imidazol-2-amine.
What is the SMILES notation for N-cyclohexyl-1-[(4-methylthiophen-3-yl)methyl]imidazol-2-amine?
The canonical SMILES for N-cyclohexyl-1-[(4-methylthiophen-3-yl)methyl]imidazol-2-amine is Cc1cscc1Cn1ccnc1NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-1-[(4-methylthiophen-3-yl)methyl]imidazol-2-amine?
The InChIKey is RLJAFCWZFHYJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-12-10-19-11-13(12)9-18-8-7-16-15(18)17-14-5-3-2-4-6-14/h7-8,10-11,14H,2-6,9H2,1H3,(H,16,17).
What are the key properties of N-cyclohexyl-1-[(4-methylthiophen-3-yl)methyl]imidazol-2-amine?
N-cyclohexyl-1-[(4-methylthiophen-3-yl)methyl]imidazol-2-amine has a molecular weight of 275.42 g/mol, XLogP of 4.05, 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-methylthiophen-3-yl)methyl]imidazol-2-amine is sourced from PubChem (CID 106577389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).