2-[(3-methylphenyl)methylsulfanyl]-4-phenylimidazol-1-amine

C17H17N3S — CID 7225476

IUPAC2-[(3-methylphenyl)methylsulfanyl]-4-phenylimidazol-1-amine
SMILESCc1cccc(CSc2nc(-c3ccccc3)cn2N)c1
InChIInChI=1S/C17H17N3S/c1-13-6-5-7-14(10-13)12-21-17-19-16(11-20(17)18)15-8-3-2-4-9-15/h2-11H,12,18H2,1H3
InChIKeyIBKHXODZEJAMOD-UHFFFAOYSA-N
MW295.41 g/mol
LogP3.86
Rot. Bonds4

About 2-[(3-methylphenyl)methylsulfanyl]-4-phenylimidazol-1-amine

2-[(3-methylphenyl)methylsulfanyl]-4-phenylimidazol-1-amine (PubChem CID 7225476) has the molecular formula C17H17N3S and a molecular weight of 295.41 g/mol. Its IUPAC name is 2-[(3-methylphenyl)methylsulfanyl]-4-phenylimidazol-1-amine.

Molecular Properties

Compound Name2-[(3-methylphenyl)methylsulfanyl]-4-phenylimidazol-1-amine
PubChem CID7225476
Molecular FormulaC17H17N3S
Molecular Weight295.41 g/mol
Exact Mass295.11
IUPAC Name2-[(3-methylphenyl)methylsulfanyl]-4-phenylimidazol-1-amine
SMILESCc1cccc(CSc2nc(-c3ccccc3)cn2N)c1
InChIInChI=1S/C17H17N3S/c1-13-6-5-7-14(10-13)12-21-17-19-16(11-20(17)18)15-8-3-2-4-9-15/h2-11H,12,18H2,1H3
InChIKeyIBKHXODZEJAMOD-UHFFFAOYSA-N
XLogP3.86
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-benzodioxol-5-ylmethylsulfanyl)-4-phenylimidazol-1-amine
CID 7246673
2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 40709981
3-(3-methylphenyl)-5-[(3-methylphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole
CID 7205567
3-[(3-methylphenyl)methylsulfanyl]-4,5-diphenyl-1,2,4-triazole
CID 3949955
1-(3-methylphenyl)-4-phenyl-2-[[4-(trifluoromethyl)phenyl]methylsulfanyl]imidazole
CID 163368823
3-tert-butyl-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 29178735
2-[(2,2-dichlorocyclopropyl)methylsulfanyl]-4-phenylimidazol-1-amine
CID 16556344
3-hydrazinyl-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 17344814
3-benzylsulfanyl-4,5-bis(3-methylphenyl)-1,2,4-triazole
CID 42799320
4-methyl-3-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazole
CID 6465462
4-methyl-3-[[3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]methylsulfanyl]-5-phenyl-1,2,4-triazole
CID 4003653
2-[(3-methylphenyl)methylsulfanyl]-1-propan-2-ylbenzimidazole
CID 10827803

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylphenyl)methylsulfanyl]-4-phenylimidazol-1-amine?
The IUPAC name of 2-[(3-methylphenyl)methylsulfanyl]-4-phenylimidazol-1-amine (CID 7225476) is 2-[(3-methylphenyl)methylsulfanyl]-4-phenylimidazol-1-amine.
What is the SMILES notation for 2-[(3-methylphenyl)methylsulfanyl]-4-phenylimidazol-1-amine?
The canonical SMILES for 2-[(3-methylphenyl)methylsulfanyl]-4-phenylimidazol-1-amine is Cc1cccc(CSc2nc(-c3ccccc3)cn2N)c1.
What is the InChIKey of 2-[(3-methylphenyl)methylsulfanyl]-4-phenylimidazol-1-amine?
The InChIKey is IBKHXODZEJAMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3S/c1-13-6-5-7-14(10-13)12-21-17-19-16(11-20(17)18)15-8-3-2-4-9-15/h2-11H,12,18H2,1H3.
What are the key properties of 2-[(3-methylphenyl)methylsulfanyl]-4-phenylimidazol-1-amine?
2-[(3-methylphenyl)methylsulfanyl]-4-phenylimidazol-1-amine has a molecular weight of 295.41 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylphenyl)methylsulfanyl]-4-phenylimidazol-1-amine is sourced from PubChem (CID 7225476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).