1-methyl-N-[(1-phenylsulfanylcyclopropyl)methyl]-4,5-dihydroimidazol-2-amine

C14H19N3S — CID 120971227

IUPAC1-methyl-N-[(1-phenylsulfanylcyclopropyl)methyl]-4,5-dihydroimidazol-2-amine
SMILESCN1CCN=C1NCC1(Sc2ccccc2)CC1
InChIInChI=1S/C14H19N3S/c1-17-10-9-15-13(17)16-11-14(7-8-14)18-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3,(H,15,16)
InChIKeyRSTLARFXQOIAOH-UHFFFAOYSA-N
MW261.39 g/mol
LogP2.20
Rot. Bonds4

About 1-methyl-N-[(1-phenylsulfanylcyclopropyl)methyl]-4,5-dihydroimidazol-2-amine

1-methyl-N-[(1-phenylsulfanylcyclopropyl)methyl]-4,5-dihydroimidazol-2-amine (PubChem CID 120971227) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 1-methyl-N-[(1-phenylsulfanylcyclopropyl)methyl]-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-methyl-N-[(1-phenylsulfanylcyclopropyl)methyl]-4,5-dihydroimidazol-2-amine
PubChem CID120971227
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC Name1-methyl-N-[(1-phenylsulfanylcyclopropyl)methyl]-4,5-dihydroimidazol-2-amine
SMILESCN1CCN=C1NCC1(Sc2ccccc2)CC1
InChIInChI=1S/C14H19N3S/c1-17-10-9-15-13(17)16-11-14(7-8-14)18-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3,(H,15,16)
InChIKeyRSTLARFXQOIAOH-UHFFFAOYSA-N
XLogP2.20
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1-phenylsulfanylcyclopropyl)methyl]-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-methyl-N-[(1-phenylsulfanylcyclopropyl)methyl]-4,5-dihydroimidazol-2-amine (CID 120971227) is 1-methyl-N-[(1-phenylsulfanylcyclopropyl)methyl]-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-methyl-N-[(1-phenylsulfanylcyclopropyl)methyl]-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-methyl-N-[(1-phenylsulfanylcyclopropyl)methyl]-4,5-dihydroimidazol-2-amine is CN1CCN=C1NCC1(Sc2ccccc2)CC1.
What is the InChIKey of 1-methyl-N-[(1-phenylsulfanylcyclopropyl)methyl]-4,5-dihydroimidazol-2-amine?
The InChIKey is RSTLARFXQOIAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-17-10-9-15-13(17)16-11-14(7-8-14)18-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3,(H,15,16).
What are the key properties of 1-methyl-N-[(1-phenylsulfanylcyclopropyl)methyl]-4,5-dihydroimidazol-2-amine?
1-methyl-N-[(1-phenylsulfanylcyclopropyl)methyl]-4,5-dihydroimidazol-2-amine has a molecular weight of 261.39 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1-phenylsulfanylcyclopropyl)methyl]-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 120971227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).