2-[2-(2-cyclohexylpyrimidin-5-yl)imidazol-1-yl]-N-methylethanesulfonamide

C16H23N5O2S — CID 70770808

IUPAC2-[2-(2-cyclohexylpyrimidin-5-yl)imidazol-1-yl]-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCn1ccnc1-c1cnc(C2CCCCC2)nc1
InChIInChI=1S/C16H23N5O2S/c1-17-24(22,23)10-9-21-8-7-18-16(21)14-11-19-15(20-12-14)13-5-3-2-4-6-13/h7-8,11-13,17H,2-6,9-10H2,1H3
InChIKeyHVRKIXJISILVBG-UHFFFAOYSA-N
MW349.46 g/mol
LogP1.94
Rot. Bonds6

About 2-[2-(2-cyclohexylpyrimidin-5-yl)imidazol-1-yl]-N-methylethanesulfonamide

2-[2-(2-cyclohexylpyrimidin-5-yl)imidazol-1-yl]-N-methylethanesulfonamide (PubChem CID 70770808) has the molecular formula C16H23N5O2S and a molecular weight of 349.46 g/mol. Its IUPAC name is 2-[2-(2-cyclohexylpyrimidin-5-yl)imidazol-1-yl]-N-methylethanesulfonamide.

Molecular Properties

Compound Name2-[2-(2-cyclohexylpyrimidin-5-yl)imidazol-1-yl]-N-methylethanesulfonamide
PubChem CID70770808
Molecular FormulaC16H23N5O2S
Molecular Weight349.46 g/mol
Exact Mass349.16
IUPAC Name2-[2-(2-cyclohexylpyrimidin-5-yl)imidazol-1-yl]-N-methylethanesulfonamide
SMILESCNS(=O)(=O)CCn1ccnc1-c1cnc(C2CCCCC2)nc1
InChIInChI=1S/C16H23N5O2S/c1-17-24(22,23)10-9-21-8-7-18-16(21)14-11-19-15(20-12-14)13-5-3-2-4-6-13/h7-8,11-13,17H,2-6,9-10H2,1H3
InChIKeyHVRKIXJISILVBG-UHFFFAOYSA-N
XLogP1.94
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-imidazol-1-yl-N-[(4-methylsulfonylcyclohexyl)methyl]pyrimidin-4-amine
CID 138053478
1-(2-cyclohexylpyrimidin-5-yl)-N-(1H-imidazol-2-ylmethyl)-N-methylmethanamine
CID 56710655
N-isopropyl-5-{1-[2-(methylsulfonyl)ethyl]-1H-imidazol-2-yl}pyrimidin-2-amine
CID 56890178
N-(2-{2-[2-(isopropylamino)pyrimidin-5-yl]-1H-imidazol-1-yl}ethyl)-N-methylmethanesulfonamide
CID 70767165
2-cyclohexyl-5-({4-[(1-methyl-1H-imidazol-2-yl)methyl]piperazin-1-yl}methyl)pyrimidine
CID 77086840
N-[(2-cyclohexylpyrimidin-5-yl)methyl]-N-methyl-2-(2-methyl-1H-imidazol-1-yl)ethanamine
CID 77088858
N-[(2-cyclohexylpyrimidin-5-yl)methyl]-N-[(1-methyl-1H-imidazol-2-yl)methyl]cyclopropanamine
CID 77092489
2-cyclohexyl-5-{[4-(1H-imidazol-1-ylmethyl)piperidin-1-yl]methyl}pyrimidine
CID 77095672
N-[(2-cyclohexylpyrimidin-5-yl)methyl]-N-methyl-3-(1-methyl-1H-imidazol-2-yl)propan-1-amine
CID 77098033
N-(2-(2-(pyrimidin-2-yl)-1H-imidazol-1-yl)ethyl)ethanesulfonamide
CID 90588980
N-(2-(2-(pyrimidin-2-yl)-1H-imidazol-1-yl)ethyl)propane-1-sulfonamide
CID 90588982
N-(2-(2-(pyrimidin-2-yl)-1H-imidazol-1-yl)ethyl)propane-2-sulfonamide
CID 90588983

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-cyclohexylpyrimidin-5-yl)imidazol-1-yl]-N-methylethanesulfonamide?
The IUPAC name of 2-[2-(2-cyclohexylpyrimidin-5-yl)imidazol-1-yl]-N-methylethanesulfonamide (CID 70770808) is 2-[2-(2-cyclohexylpyrimidin-5-yl)imidazol-1-yl]-N-methylethanesulfonamide.
What is the SMILES notation for 2-[2-(2-cyclohexylpyrimidin-5-yl)imidazol-1-yl]-N-methylethanesulfonamide?
The canonical SMILES for 2-[2-(2-cyclohexylpyrimidin-5-yl)imidazol-1-yl]-N-methylethanesulfonamide is CNS(=O)(=O)CCn1ccnc1-c1cnc(C2CCCCC2)nc1.
What is the InChIKey of 2-[2-(2-cyclohexylpyrimidin-5-yl)imidazol-1-yl]-N-methylethanesulfonamide?
The InChIKey is HVRKIXJISILVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2S/c1-17-24(22,23)10-9-21-8-7-18-16(21)14-11-19-15(20-12-14)13-5-3-2-4-6-13/h7-8,11-13,17H,2-6,9-10H2,1H3.
What are the key properties of 2-[2-(2-cyclohexylpyrimidin-5-yl)imidazol-1-yl]-N-methylethanesulfonamide?
2-[2-(2-cyclohexylpyrimidin-5-yl)imidazol-1-yl]-N-methylethanesulfonamide has a molecular weight of 349.46 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-cyclohexylpyrimidin-5-yl)imidazol-1-yl]-N-methylethanesulfonamide is sourced from PubChem (CID 70770808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).