1-methyl-N-[[4-(3-methylpiperidin-1-yl)sulfonylphenyl]methyl]-4,5-dihydroimidazol-2-amine

C17H26N4O2S — CID 120969931

IUPAC1-methyl-N-[[4-(3-methylpiperidin-1-yl)sulfonylphenyl]methyl]-4,5-dihydroimidazol-2-amine
SMILESCC1CCCN(S(=O)(=O)c2ccc(CNC3=NCCN3C)cc2)C1
InChIInChI=1S/C17H26N4O2S/c1-14-4-3-10-21(13-14)24(22,23)16-7-5-15(6-8-16)12-19-17-18-9-11-20(17)2/h5-8,14H,3-4,9-13H2,1-2H3,(H,18,19)
InChIKeySJYJIPWPZUHBIL-UHFFFAOYSA-N
MW350.49 g/mol
LogP1.50
Rot. Bonds4

About 1-methyl-N-[[4-(3-methylpiperidin-1-yl)sulfonylphenyl]methyl]-4,5-dihydroimidazol-2-amine

1-methyl-N-[[4-(3-methylpiperidin-1-yl)sulfonylphenyl]methyl]-4,5-dihydroimidazol-2-amine (PubChem CID 120969931) has the molecular formula C17H26N4O2S and a molecular weight of 350.49 g/mol. Its IUPAC name is 1-methyl-N-[[4-(3-methylpiperidin-1-yl)sulfonylphenyl]methyl]-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-methyl-N-[[4-(3-methylpiperidin-1-yl)sulfonylphenyl]methyl]-4,5-dihydroimidazol-2-amine
PubChem CID120969931
Molecular FormulaC17H26N4O2S
Molecular Weight350.49 g/mol
Exact Mass350.18
IUPAC Name1-methyl-N-[[4-(3-methylpiperidin-1-yl)sulfonylphenyl]methyl]-4,5-dihydroimidazol-2-amine
SMILESCC1CCCN(S(=O)(=O)c2ccc(CNC3=NCCN3C)cc2)C1
InChIInChI=1S/C17H26N4O2S/c1-14-4-3-10-21(13-14)24(22,23)16-7-5-15(6-8-16)12-19-17-18-9-11-20(17)2/h5-8,14H,3-4,9-13H2,1-2H3,(H,18,19)
InChIKeySJYJIPWPZUHBIL-UHFFFAOYSA-N
XLogP1.50
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-(4-chlorophenyl)sulfonyl-3-methylpiperidine
CID 710396
1-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]sulfonylazepane
CID 3184670
1-methyl-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-4,5-dihydroimidazol-2-amine
CID 120969584
(3S)-3-methyl-1-(4-methylphenyl)sulfonylpiperidine
CID 668967
1-methyl-N-[[4-(methylsulfonylmethyl)phenyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120970164
1-ethylsulfonyl-4-[4-[(3S)-3-methylpiperidin-1-yl]sulfonylphenyl]sulfonylpiperazine
CID 1452453
N-[[4-(3-methylpyrrolidin-1-yl)sulfonylphenyl]methyl]ethanamine
CID 61227035
1-(4-chlorophenyl)-N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]methanesulfonamide
CID 17312255
2-methyl-1-[[4-(3-methylpiperidin-1-yl)sulfonylphenyl]methyl]-3-[(2-methyl-1,2,4-triazol-3-yl)methyl]guanidine
CID 111708213
methyl 4-[[[4-[(3R)-3-methylpiperidin-1-yl]sulfonylbenzoyl]amino]methyl]benzoate
CID 41210171
5-[(4-methylphenyl)methylamino]-2-[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-1,3-oxazole-4-carbonitrile
CID 42589040
4-(3-methylpiperidin-1-yl)sulfonylbenzoic acid
CID 2770974

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[4-(3-methylpiperidin-1-yl)sulfonylphenyl]methyl]-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-methyl-N-[[4-(3-methylpiperidin-1-yl)sulfonylphenyl]methyl]-4,5-dihydroimidazol-2-amine (CID 120969931) is 1-methyl-N-[[4-(3-methylpiperidin-1-yl)sulfonylphenyl]methyl]-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-methyl-N-[[4-(3-methylpiperidin-1-yl)sulfonylphenyl]methyl]-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-methyl-N-[[4-(3-methylpiperidin-1-yl)sulfonylphenyl]methyl]-4,5-dihydroimidazol-2-amine is CC1CCCN(S(=O)(=O)c2ccc(CNC3=NCCN3C)cc2)C1.
What is the InChIKey of 1-methyl-N-[[4-(3-methylpiperidin-1-yl)sulfonylphenyl]methyl]-4,5-dihydroimidazol-2-amine?
The InChIKey is SJYJIPWPZUHBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2S/c1-14-4-3-10-21(13-14)24(22,23)16-7-5-15(6-8-16)12-19-17-18-9-11-20(17)2/h5-8,14H,3-4,9-13H2,1-2H3,(H,18,19).
What are the key properties of 1-methyl-N-[[4-(3-methylpiperidin-1-yl)sulfonylphenyl]methyl]-4,5-dihydroimidazol-2-amine?
1-methyl-N-[[4-(3-methylpiperidin-1-yl)sulfonylphenyl]methyl]-4,5-dihydroimidazol-2-amine has a molecular weight of 350.49 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[4-(3-methylpiperidin-1-yl)sulfonylphenyl]methyl]-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 120969931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).