2-[benzyl-[(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)methyl]amino]ethanol

C23H35N3O3S — CID 42289412

IUPAC2-[benzyl-[(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)methyl]amino]ethanol
SMILESCCCCn1c(CN(CCO)Cc2ccccc2)cnc1S(=O)(=O)C1CCCCC1
InChIInChI=1S/C23H35N3O3S/c1-2-3-14-26-21(19-25(15-16-27)18-20-10-6-4-7-11-20)17-24-23(26)30(28,29)22-12-8-5-9-13-22/h4,6-7,10-11,17,22,27H,2-3,5,8-9,12-16,18-19H2,1H3
InChIKeyOHCTXWLJVOIJCN-UHFFFAOYSA-N
MW433.62 g/mol
LogP3.78
Rot. Bonds11

About 2-[benzyl-[(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)methyl]amino]ethanol

2-[benzyl-[(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)methyl]amino]ethanol (PubChem CID 42289412) has the molecular formula C23H35N3O3S and a molecular weight of 433.62 g/mol. Its IUPAC name is 2-[benzyl-[(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[benzyl-[(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)methyl]amino]ethanol
PubChem CID42289412
Molecular FormulaC23H35N3O3S
Molecular Weight433.62 g/mol
Exact Mass433.24
IUPAC Name2-[benzyl-[(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)methyl]amino]ethanol
SMILESCCCCn1c(CN(CCO)Cc2ccccc2)cnc1S(=O)(=O)C1CCCCC1
InChIInChI=1S/C23H35N3O3S/c1-2-3-14-26-21(19-25(15-16-27)18-20-10-6-4-7-11-20)17-24-23(26)30(28,29)22-12-8-5-9-13-22/h4,6-7,10-11,17,22,27H,2-3,5,8-9,12-16,18-19H2,1H3
InChIKeyOHCTXWLJVOIJCN-UHFFFAOYSA-N
XLogP3.78
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.62
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-N-[(3-butyl-2-ethylsulfonylimidazol-4-yl)methyl]-1-cyclopropylmethanamine
CID 42452914
N-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]-N-methyl-2-phenylethanamine
CID 29023100
N-benzyl-N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-1-phenylmethanamine
CID 69301657
N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-N-[(4-methylphenyl)methyl]-2-phenylethanamine
CID 69325628
N-[[2-cycloheptylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1-thiophen-2-ylmethanamine
CID 42596519
N-[[(2S)-oxolan-2-yl]methyl]-N-[[3-(2-phenylethyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]propan-1-amine
CID 42095342
2-[benzyl(nonyl)amino]ethanol
CID 63469962
N-benzyl-N-[[2-(cyclopropylmethylsulfonyl)-3-[[(2S)-oxolan-2-yl]methyl]imidazol-4-yl]methyl]ethanamine
CID 42097521
N-ethyl-N-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-2-pyrazol-1-ylethanamine
CID 25282632
2-[benzyl-[(1-methylpyrrol-2-yl)methyl]amino]ethanol
CID 110880251
N-[(3-butyl-2-ethylsulfonylimidazol-4-yl)methyl]-N-ethyl-2-methylprop-2-en-1-amine
CID 25286988
N-[(3-butyl-2-phenylimidazol-4-yl)methyl]-N-[(4-methoxyphenyl)methyl]-1-phenylmethanamine
CID 10274945

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-[(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)methyl]amino]ethanol?
The IUPAC name of 2-[benzyl-[(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)methyl]amino]ethanol (CID 42289412) is 2-[benzyl-[(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)methyl]amino]ethanol.
What is the SMILES notation for 2-[benzyl-[(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)methyl]amino]ethanol?
The canonical SMILES for 2-[benzyl-[(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)methyl]amino]ethanol is CCCCn1c(CN(CCO)Cc2ccccc2)cnc1S(=O)(=O)C1CCCCC1.
What is the InChIKey of 2-[benzyl-[(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)methyl]amino]ethanol?
The InChIKey is OHCTXWLJVOIJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O3S/c1-2-3-14-26-21(19-25(15-16-27)18-20-10-6-4-7-11-20)17-24-23(26)30(28,29)22-12-8-5-9-13-22/h4,6-7,10-11,17,22,27H,2-3,5,8-9,12-16,18-19H2,1H3.
What are the key properties of 2-[benzyl-[(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)methyl]amino]ethanol?
2-[benzyl-[(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)methyl]amino]ethanol has a molecular weight of 433.62 g/mol, XLogP of 3.78, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-[(3-butyl-2-cyclohexylsulfonylimidazol-4-yl)methyl]amino]ethanol is sourced from PubChem (CID 42289412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).