N-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine

C22H35N5O2S — CID 30852124

IUPACN-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
SMILESCN(CCc1cnn(C)c1)Cc1cnc(S(=O)(=O)CC2CC2)n1CC1CCCCC1
InChIInChI=1S/C22H35N5O2S/c1-25(11-10-20-12-24-26(2)14-20)16-21-13-23-22(30(28,29)17-19-8-9-19)27(21)15-18-6-4-3-5-7-18/h12-14,18-19H,3-11,15-17H2,1-2H3
InChIKeyXITYPUBCBVZSNN-UHFFFAOYSA-N
MW433.62 g/mol
LogP3.06
Rot. Bonds10

About N-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine

N-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine (PubChem CID 30852124) has the molecular formula C22H35N5O2S and a molecular weight of 433.62 g/mol. Its IUPAC name is N-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
PubChem CID30852124
Molecular FormulaC22H35N5O2S
Molecular Weight433.62 g/mol
Exact Mass433.25
IUPAC NameN-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
SMILESCN(CCc1cnn(C)c1)Cc1cnc(S(=O)(=O)CC2CC2)n1CC1CCCCC1
InChIInChI=1S/C22H35N5O2S/c1-25(11-10-20-12-24-26(2)14-20)16-21-13-23-22(30(28,29)17-19-8-9-19)27(21)15-18-6-4-3-5-7-18/h12-14,18-19H,3-11,15-17H2,1-2H3
InChIKeyXITYPUBCBVZSNN-UHFFFAOYSA-N
XLogP3.06
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.62
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl-propan-2-ylamino]ethanol
CID 42529038
N-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]-N-methyl-2-phenylethanamine
CID 29023100
2-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl-methylamino]ethanol
CID 42596697
1-[2-(cyclopropylmethylsulfonyl)-3-[[(2R)-oxolan-2-yl]methyl]imidazol-4-yl]-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]methanamine
CID 28922408
N-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-(cyclopropylmethyl)propan-1-amine
CID 25286342
1-(3-benzyl-2-ethylsulfonylimidazol-4-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 56707479
N-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]-N-methyl-3-morpholin-4-ylpropan-1-amine
CID 26399798
N-[[2-(cyclopropylmethylsulfonyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]-N-ethyl-2-pyrrolidin-1-ylethanamine
CID 45243274
N-benzyl-N-[[2-(cyclopropylmethylsulfonyl)-3-[[(2S)-oxolan-2-yl]methyl]imidazol-4-yl]methyl]ethanamine
CID 42097521
(1R)-N-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1-(1,2-oxazol-3-yl)ethanamine
CID 26390716
4-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]thiomorpholine
CID 25278404
1-[[2-(cyclohexylmethylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-(2-methoxyethyl)piperazine
CID 30722807

Frequently Asked Questions

What is the IUPAC name of N-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine?
The IUPAC name of N-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine (CID 30852124) is N-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine.
What is the SMILES notation for N-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine?
The canonical SMILES for N-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine is CN(CCc1cnn(C)c1)Cc1cnc(S(=O)(=O)CC2CC2)n1CC1CCCCC1.
What is the InChIKey of N-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine?
The InChIKey is XITYPUBCBVZSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N5O2S/c1-25(11-10-20-12-24-26(2)14-20)16-21-13-23-22(30(28,29)17-19-8-9-19)27(21)15-18-6-4-3-5-7-18/h12-14,18-19H,3-11,15-17H2,1-2H3.
What are the key properties of N-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine?
N-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine has a molecular weight of 433.62 g/mol, XLogP of 3.06, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 30852124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).