N-[4-(4-propan-2-ylphenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine

C18H21N3S — CID 11186023

IUPACN-[4-(4-propan-2-ylphenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESCC(C)c1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1
InChIInChI=1S/C18H21N3S/c1-13(2)14-3-7-16(8-4-14)22-17-9-5-15(6-10-17)21-18-19-11-12-20-18/h3-10,13H,11-12H2,1-2H3,(H2,19,20,21)
InChIKeyQAWRFCGZBQBIBO-UHFFFAOYSA-N
MW311.45 g/mol
LogP4.33
Rot. Bonds4

About N-[4-(4-propan-2-ylphenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine

N-[4-(4-propan-2-ylphenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 11186023) has the molecular formula C18H21N3S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-[4-(4-propan-2-ylphenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[4-(4-propan-2-ylphenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine
PubChem CID11186023
Molecular FormulaC18H21N3S
Molecular Weight311.45 g/mol
Exact Mass311.15
IUPAC NameN-[4-(4-propan-2-ylphenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESCC(C)c1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1
InChIInChI=1S/C18H21N3S/c1-13(2)14-3-7-16(8-4-14)22-17-9-5-15(6-10-17)21-18-19-11-12-20-18/h3-10,13H,11-12H2,1-2H3,(H2,19,20,21)
InChIKeyQAWRFCGZBQBIBO-UHFFFAOYSA-N
XLogP4.33
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-propan-2-ylphenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-[4-(4-propan-2-ylphenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine (CID 11186023) is N-[4-(4-propan-2-ylphenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-[4-(4-propan-2-ylphenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-[4-(4-propan-2-ylphenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine is CC(C)c1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1.
What is the InChIKey of N-[4-(4-propan-2-ylphenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is QAWRFCGZBQBIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3S/c1-13(2)14-3-7-16(8-4-14)22-17-9-5-15(6-10-17)21-18-19-11-12-20-18/h3-10,13H,11-12H2,1-2H3,(H2,19,20,21).
What are the key properties of N-[4-(4-propan-2-ylphenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine?
N-[4-(4-propan-2-ylphenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 311.45 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-propan-2-ylphenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 11186023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).