N-[2-[5-cyclohexyl-4-(4-methoxyphenyl)imidazol-1-yl]ethyl]methanesulfonamide;formic acid

C20H29N3O5S — CID 171710035

IUPACN-[2-[5-cyclohexyl-4-(4-methoxyphenyl)imidazol-1-yl]ethyl]methanesulfonamide;formic acid
SMILESCOc1ccc(-c2ncn(CCNS(C)(=O)=O)c2C2CCCCC2)cc1.O=CO
InChIInChI=1S/C19H27N3O3S.CH2O2/c1-25-17-10-8-15(9-11-17)18-19(16-6-4-3-5-7-16)22(14-20-18)13-12-21-26(2,23)24;2-1-3/h8-11,14,16,21H,3-7,12-13H2,1-2H3;1H,(H,2,3)
InChIKeyKJGZTFMQZGXVFQ-UHFFFAOYSA-N
MW423.54 g/mol
LogP2.86
Rot. Bonds7

About N-[2-[5-cyclohexyl-4-(4-methoxyphenyl)imidazol-1-yl]ethyl]methanesulfonamide;formic acid

N-[2-[5-cyclohexyl-4-(4-methoxyphenyl)imidazol-1-yl]ethyl]methanesulfonamide;formic acid (PubChem CID 171710035) has the molecular formula C20H29N3O5S and a molecular weight of 423.54 g/mol. Its IUPAC name is N-[2-[5-cyclohexyl-4-(4-methoxyphenyl)imidazol-1-yl]ethyl]methanesulfonamide;formic acid.

Molecular Properties

Compound NameN-[2-[5-cyclohexyl-4-(4-methoxyphenyl)imidazol-1-yl]ethyl]methanesulfonamide;formic acid
PubChem CID171710035
Molecular FormulaC20H29N3O5S
Molecular Weight423.54 g/mol
Exact Mass423.18
IUPAC NameN-[2-[5-cyclohexyl-4-(4-methoxyphenyl)imidazol-1-yl]ethyl]methanesulfonamide;formic acid
SMILESCOc1ccc(-c2ncn(CCNS(C)(=O)=O)c2C2CCCCC2)cc1.O=CO
InChIInChI=1S/C19H27N3O3S.CH2O2/c1-25-17-10-8-15(9-11-17)18-19(16-6-4-3-5-7-16)22(14-20-18)13-12-21-26(2,23)24;2-1-3/h8-11,14,16,21H,3-7,12-13H2,1-2H3;1H,(H,2,3)
InChIKeyKJGZTFMQZGXVFQ-UHFFFAOYSA-N
XLogP2.86
TPSA110.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]propyl]methanesulfonamide
CID 52504509
N-[2-[2-[1-hydroxy-1-(4-methoxyphenyl)ethyl]pyrrolidin-1-yl]ethyl]methanesulfonamide
CID 154751347
1-[2-[5-cyclohex-3-en-1-yl-4-(3-methoxyphenyl)imidazol-1-yl]ethyl]pyrrolidin-2-one;formic acid
CID 171710054
formic acid;1-[2-[4-(4-methoxyphenyl)-5-(1-methylimidazol-2-yl)imidazol-1-yl]ethyl]-4-methylpiperazine
CID 171339074
methyl 7-cyclohexyl-6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 15957949
N-[2-[1-[2-(4-methoxyphenyl)ethyl]piperidin-2-yl]ethyl]methanesulfonamide
CID 78899671
N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-4-methylbenzenesulfonamide
CID 90516373
4-bromo-N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]benzenesulfonamide
CID 90516400
7-cyclohexyl-6-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 15957960
6-cyclohexyl-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 15957972
N-[[(2R)-1-[(Z)-3-(4-methoxyphenyl)prop-2-enoyl]piperidin-2-yl]methyl]methanesulfonamide
CID 97433339
formic acid;(1S,5R)-3-[3-(4-methoxyphenoxy)propyl]-9-methyl-3,9-diazabicyclo[3.3.2]decan-10-one
CID 154913924

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-cyclohexyl-4-(4-methoxyphenyl)imidazol-1-yl]ethyl]methanesulfonamide;formic acid?
The IUPAC name of N-[2-[5-cyclohexyl-4-(4-methoxyphenyl)imidazol-1-yl]ethyl]methanesulfonamide;formic acid (CID 171710035) is N-[2-[5-cyclohexyl-4-(4-methoxyphenyl)imidazol-1-yl]ethyl]methanesulfonamide;formic acid.
What is the SMILES notation for N-[2-[5-cyclohexyl-4-(4-methoxyphenyl)imidazol-1-yl]ethyl]methanesulfonamide;formic acid?
The canonical SMILES for N-[2-[5-cyclohexyl-4-(4-methoxyphenyl)imidazol-1-yl]ethyl]methanesulfonamide;formic acid is COc1ccc(-c2ncn(CCNS(C)(=O)=O)c2C2CCCCC2)cc1.O=CO.
What is the InChIKey of N-[2-[5-cyclohexyl-4-(4-methoxyphenyl)imidazol-1-yl]ethyl]methanesulfonamide;formic acid?
The InChIKey is KJGZTFMQZGXVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3S.CH2O2/c1-25-17-10-8-15(9-11-17)18-19(16-6-4-3-5-7-16)22(14-20-18)13-12-21-26(2,23)24;2-1-3/h8-11,14,16,21H,3-7,12-13H2,1-2H3;1H,(H,2,3).
What are the key properties of N-[2-[5-cyclohexyl-4-(4-methoxyphenyl)imidazol-1-yl]ethyl]methanesulfonamide;formic acid?
N-[2-[5-cyclohexyl-4-(4-methoxyphenyl)imidazol-1-yl]ethyl]methanesulfonamide;formic acid has a molecular weight of 423.54 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-cyclohexyl-4-(4-methoxyphenyl)imidazol-1-yl]ethyl]methanesulfonamide;formic acid is sourced from PubChem (CID 171710035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).