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

C15H14ClN3S — CID 11243628

IUPACN-[4-(4-chlorophenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESClc1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1
InChIInChI=1S/C15H14ClN3S/c16-11-1-5-13(6-2-11)20-14-7-3-12(4-8-14)19-15-17-9-10-18-15/h1-8H,9-10H2,(H2,17,18,19)
InChIKeyXBWWFMWPJCKVEN-UHFFFAOYSA-N
MW303.82 g/mol
LogP3.86
Rot. Bonds3

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

N-[4-(4-chlorophenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 11243628) has the molecular formula C15H14ClN3S and a molecular weight of 303.82 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine
PubChem CID11243628
Molecular FormulaC15H14ClN3S
Molecular Weight303.82 g/mol
Exact Mass303.06
IUPAC NameN-[4-(4-chlorophenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESClc1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1
InChIInChI=1S/C15H14ClN3S/c16-11-1-5-13(6-2-11)20-14-7-3-12(4-8-14)19-15-17-9-10-18-15/h1-8H,9-10H2,(H2,17,18,19)
InChIKeyXBWWFMWPJCKVEN-UHFFFAOYSA-N
XLogP3.86
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.82
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-[4-(4-chlorophenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine (CID 11243628) is N-[4-(4-chlorophenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-[4-(4-chlorophenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-[4-(4-chlorophenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine is Clc1ccc(Sc2ccc(NC3=NCCN3)cc2)cc1.
What is the InChIKey of N-[4-(4-chlorophenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is XBWWFMWPJCKVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3S/c16-11-1-5-13(6-2-11)20-14-7-3-12(4-8-14)19-15-17-9-10-18-15/h1-8H,9-10H2,(H2,17,18,19).
What are the key properties of N-[4-(4-chlorophenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine?
N-[4-(4-chlorophenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 303.82 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)sulfanylphenyl]-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 11243628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).