1-(1,4-dithian-2-ylmethyl)-4-methyl-N-phenylimidazol-2-amine

C15H19N3S2 — CID 106580091

IUPAC1-(1,4-dithian-2-ylmethyl)-4-methyl-N-phenylimidazol-2-amine
SMILESCc1cn(CC2CSCCS2)c(Nc2ccccc2)n1
InChIInChI=1S/C15H19N3S2/c1-12-9-18(10-14-11-19-7-8-20-14)15(16-12)17-13-5-3-2-4-6-13/h2-6,9,14H,7-8,10-11H2,1H3,(H,16,17)
InChIKeyIPSACRGWDLHHRD-UHFFFAOYSA-N
MW305.47 g/mol
LogP3.78
Rot. Bonds4

About 1-(1,4-dithian-2-ylmethyl)-4-methyl-N-phenylimidazol-2-amine

1-(1,4-dithian-2-ylmethyl)-4-methyl-N-phenylimidazol-2-amine (PubChem CID 106580091) has the molecular formula C15H19N3S2 and a molecular weight of 305.47 g/mol. Its IUPAC name is 1-(1,4-dithian-2-ylmethyl)-4-methyl-N-phenylimidazol-2-amine.

Molecular Properties

Compound Name1-(1,4-dithian-2-ylmethyl)-4-methyl-N-phenylimidazol-2-amine
PubChem CID106580091
Molecular FormulaC15H19N3S2
Molecular Weight305.47 g/mol
Exact Mass305.10
IUPAC Name1-(1,4-dithian-2-ylmethyl)-4-methyl-N-phenylimidazol-2-amine
SMILESCc1cn(CC2CSCCS2)c(Nc2ccccc2)n1
InChIInChI=1S/C15H19N3S2/c1-12-9-18(10-14-11-19-7-8-20-14)15(16-12)17-13-5-3-2-4-6-13/h2-6,9,14H,7-8,10-11H2,1H3,(H,16,17)
InChIKeyIPSACRGWDLHHRD-UHFFFAOYSA-N
XLogP3.78
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-1-(oxolan-2-ylmethyl)-N-phenylimidazol-2-amine
CID 106560077
4-methyl-1-(oxan-3-ylmethyl)-N-phenylimidazol-2-amine
CID 106566017
1-(3-cyclopropylpropyl)-4-methyl-N-phenylimidazol-2-amine
CID 106582506
4-methyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]-N-phenylimidazol-2-amine
CID 106566250
4-methyl-1-(2-methylsulfanylethyl)-N-phenylimidazol-2-amine
CID 106572558
1-[(5-bromothiophen-2-yl)methyl]-4-methyl-N-phenylimidazol-2-amine
CID 106575524
N,4-dimethyl-1-(thian-2-ylmethyl)imidazol-2-amine
CID 106577109
4-methyl-1-(4-methylpentyl)-N-phenylimidazol-2-amine
CID 106572165
4-methyl-1-(2-methylsulfonylethyl)-N-phenylimidazol-2-amine
CID 106563436
4-methyl-N-phenyl-1-(2-propan-2-yloxyethyl)imidazol-2-amine
CID 106581590
N-[2-(2-anilino-4-methylimidazol-1-yl)ethyl]acetamide
CID 106562341
1-[(2R)-1,4-dithian-2-yl]-N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 96535964

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dithian-2-ylmethyl)-4-methyl-N-phenylimidazol-2-amine?
The IUPAC name of 1-(1,4-dithian-2-ylmethyl)-4-methyl-N-phenylimidazol-2-amine (CID 106580091) is 1-(1,4-dithian-2-ylmethyl)-4-methyl-N-phenylimidazol-2-amine.
What is the SMILES notation for 1-(1,4-dithian-2-ylmethyl)-4-methyl-N-phenylimidazol-2-amine?
The canonical SMILES for 1-(1,4-dithian-2-ylmethyl)-4-methyl-N-phenylimidazol-2-amine is Cc1cn(CC2CSCCS2)c(Nc2ccccc2)n1.
What is the InChIKey of 1-(1,4-dithian-2-ylmethyl)-4-methyl-N-phenylimidazol-2-amine?
The InChIKey is IPSACRGWDLHHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S2/c1-12-9-18(10-14-11-19-7-8-20-14)15(16-12)17-13-5-3-2-4-6-13/h2-6,9,14H,7-8,10-11H2,1H3,(H,16,17).
What are the key properties of 1-(1,4-dithian-2-ylmethyl)-4-methyl-N-phenylimidazol-2-amine?
1-(1,4-dithian-2-ylmethyl)-4-methyl-N-phenylimidazol-2-amine has a molecular weight of 305.47 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dithian-2-ylmethyl)-4-methyl-N-phenylimidazol-2-amine is sourced from PubChem (CID 106580091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).