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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Related Compounds

1-(benzenesulfonyl)-4-methylpiperidine
CID 761422
4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]-1-(3-phenylphenyl)sulfonylpiperidine
CID 90592493
1-(benzenesulfonyl)piperidin-4-amine;hydrochloride
CID 53433554
(6S)-2-amino-3,6-dimethyl-6-[1-(4-phenylphenyl)sulfonylpiperidin-3-yl]-5H-pyrimidin-4-one
CID 59387925
(5S)-2-amino-3-[[(3R)-1-benzylsulfonylpyrrolidin-3-yl]methyl]-5-[3-(3-chlorophenyl)phenyl]-5-methylimidazol-4-one
CID 70128104
1-(benzenesulfonyl)-4,4-dimethylpiperidine
CID 58376409
4-(benzenesulfonyl)-1-[3-(4-chlorophenyl)phenyl]sulfonylpiperidine
CID 90589542
3-(4-methylpiperidin-1-yl)sulfonylaniline
CID 3170436
1-(benzenesulfonyl)-4-[2-(4-phenylphenyl)ethyl]piperidine
CID 46086776
N-methyl-2-[1-(3-phenylphenyl)sulfonylpiperidin-4-yl]sulfonylacetamide
CID 90592892
4-[4-(benzenesulfonyl)piperazin-1-yl]sulfonylaniline
CID 2052130
1-(3-methylphenyl)sulfonyl-4-[2-(4-phenylphenyl)ethyl]piperidine
CID 46087013

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).