5-[1-(benzenesulfonyl)piperidin-4-yl]-3-methyl-5-(3-phenylphenyl)-4H-imidazol-2-amine

C27H30N4O2S — CID 141178382

IUPAC5-[1-(benzenesulfonyl)piperidin-4-yl]-3-methyl-5-(3-phenylphenyl)-4H-imidazol-2-amine
SMILESCN1CC(c2cccc(-c3ccccc3)c2)(C2CCN(S(=O)(=O)c3ccccc3)CC2)N=C1N
InChIInChI=1S/C27H30N4O2S/c1-30-20-27(29-26(30)28,24-12-8-11-22(19-24)21-9-4-2-5-10-21)23-15-17-31(18-16-23)34(32,33)25-13-6-3-7-14-25/h2-14,19,23H,15-18,20H2,1H3,(H2,28,29)
InChIKeySIJUJYZECBBLGW-UHFFFAOYSA-N
MW474.63 g/mol
LogP3.91
Rot. Bonds5

About 5-[1-(benzenesulfonyl)piperidin-4-yl]-3-methyl-5-(3-phenylphenyl)-4H-imidazol-2-amine

5-[1-(benzenesulfonyl)piperidin-4-yl]-3-methyl-5-(3-phenylphenyl)-4H-imidazol-2-amine (PubChem CID 141178382) has the molecular formula C27H30N4O2S and a molecular weight of 474.63 g/mol. Its IUPAC name is 5-[1-(benzenesulfonyl)piperidin-4-yl]-3-methyl-5-(3-phenylphenyl)-4H-imidazol-2-amine.

Molecular Properties

Compound Name5-[1-(benzenesulfonyl)piperidin-4-yl]-3-methyl-5-(3-phenylphenyl)-4H-imidazol-2-amine
PubChem CID141178382
Molecular FormulaC27H30N4O2S
Molecular Weight474.63 g/mol
Exact Mass474.21
IUPAC Name5-[1-(benzenesulfonyl)piperidin-4-yl]-3-methyl-5-(3-phenylphenyl)-4H-imidazol-2-amine
SMILESCN1CC(c2cccc(-c3ccccc3)c2)(C2CCN(S(=O)(=O)c3ccccc3)CC2)N=C1N
InChIInChI=1S/C27H30N4O2S/c1-30-20-27(29-26(30)28,24-12-8-11-22(19-24)21-9-4-2-5-10-21)23-15-17-31(18-16-23)34(32,33)25-13-6-3-7-14-25/h2-14,19,23H,15-18,20H2,1H3,(H2,28,29)
InChIKeySIJUJYZECBBLGW-UHFFFAOYSA-N
XLogP3.91
TPSA79.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.63
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(benzenesulfonyl)piperidin-4-yl]-3-methyl-5-(3-phenylphenyl)-4H-imidazol-2-amine?
The IUPAC name of 5-[1-(benzenesulfonyl)piperidin-4-yl]-3-methyl-5-(3-phenylphenyl)-4H-imidazol-2-amine (CID 141178382) is 5-[1-(benzenesulfonyl)piperidin-4-yl]-3-methyl-5-(3-phenylphenyl)-4H-imidazol-2-amine.
What is the SMILES notation for 5-[1-(benzenesulfonyl)piperidin-4-yl]-3-methyl-5-(3-phenylphenyl)-4H-imidazol-2-amine?
The canonical SMILES for 5-[1-(benzenesulfonyl)piperidin-4-yl]-3-methyl-5-(3-phenylphenyl)-4H-imidazol-2-amine is CN1CC(c2cccc(-c3ccccc3)c2)(C2CCN(S(=O)(=O)c3ccccc3)CC2)N=C1N.
What is the InChIKey of 5-[1-(benzenesulfonyl)piperidin-4-yl]-3-methyl-5-(3-phenylphenyl)-4H-imidazol-2-amine?
The InChIKey is SIJUJYZECBBLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O2S/c1-30-20-27(29-26(30)28,24-12-8-11-22(19-24)21-9-4-2-5-10-21)23-15-17-31(18-16-23)34(32,33)25-13-6-3-7-14-25/h2-14,19,23H,15-18,20H2,1H3,(H2,28,29).
What are the key properties of 5-[1-(benzenesulfonyl)piperidin-4-yl]-3-methyl-5-(3-phenylphenyl)-4H-imidazol-2-amine?
5-[1-(benzenesulfonyl)piperidin-4-yl]-3-methyl-5-(3-phenylphenyl)-4H-imidazol-2-amine has a molecular weight of 474.63 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(benzenesulfonyl)piperidin-4-yl]-3-methyl-5-(3-phenylphenyl)-4H-imidazol-2-amine is sourced from PubChem (CID 141178382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).