N-[(1-methylbenzimidazol-2-yl)methyl]-2-methylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide

C20H28N4O3S — CID 71837112

IUPACN-[(1-methylbenzimidazol-2-yl)methyl]-2-methylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide
SMILESCn1c(CNC(=O)C2CN(S(C)(=O)=O)CC23CCCCC3)nc2ccccc21
InChIInChI=1S/C20H28N4O3S/c1-23-17-9-5-4-8-16(17)22-18(23)12-21-19(25)15-13-24(28(2,26)27)14-20(15)10-6-3-7-11-20/h4-5,8-9,15H,3,6-7,10-14H2,1-2H3,(H,21,25)
InChIKeyWFEZTBSFIRHDTC-UHFFFAOYSA-N
MW404.54 g/mol
LogP2.03
Rot. Bonds4

About N-[(1-methylbenzimidazol-2-yl)methyl]-2-methylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide

N-[(1-methylbenzimidazol-2-yl)methyl]-2-methylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 71837112) has the molecular formula C20H28N4O3S and a molecular weight of 404.54 g/mol. Its IUPAC name is N-[(1-methylbenzimidazol-2-yl)methyl]-2-methylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound NameN-[(1-methylbenzimidazol-2-yl)methyl]-2-methylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID71837112
Molecular FormulaC20H28N4O3S
Molecular Weight404.54 g/mol
Exact Mass404.19
IUPAC NameN-[(1-methylbenzimidazol-2-yl)methyl]-2-methylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide
SMILESCn1c(CNC(=O)C2CN(S(C)(=O)=O)CC23CCCCC3)nc2ccccc21
InChIInChI=1S/C20H28N4O3S/c1-23-17-9-5-4-8-16(17)22-18(23)12-21-19(25)15-13-24(28(2,26)27)14-20(15)10-6-3-7-11-20/h4-5,8-9,15H,3,6-7,10-14H2,1-2H3,(H,21,25)
InChIKeyWFEZTBSFIRHDTC-UHFFFAOYSA-N
XLogP2.03
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.54
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1'R,3S)-N-[(1-methylbenzimidazol-2-yl)methyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide
CID 124608114
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CID 110712040
N-[(1-methylbenzimidazol-2-yl)methyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 77081858
3-amino-N-[(1-methylbenzimidazol-2-yl)methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119834834
N-[(1-methylbenzimidazol-2-yl)methyl]-1-methylsulfonylpiperidin-4-amine
CID 154747523
(3S)-N-[(1-methylbenzimidazol-2-yl)methyl]-3-(methylsulfonylmethyl)piperidine-1-carboxamide
CID 125145269
1-cyclopentyl-N-[(1-methylbenzimidazol-2-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 45171809
(2S)-1-(4-chlorophenyl)sulfonyl-N-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidine-2-carboxamide
CID 40939662
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CID 103724272
1-(4-fluorobenzoyl)-N-[(1-methylbenzimidazol-2-yl)methyl]piperidine-3-carboxamide
CID 55454693
1-(2,2-dimethylpropyl)-3-[(1-methylbenzimidazol-2-yl)methyl]urea
CID 110747240
1-[(1-methylbenzimidazol-2-yl)methyl]cycloheptane-1-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylbenzimidazol-2-yl)methyl]-2-methylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of N-[(1-methylbenzimidazol-2-yl)methyl]-2-methylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide (CID 71837112) is N-[(1-methylbenzimidazol-2-yl)methyl]-2-methylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for N-[(1-methylbenzimidazol-2-yl)methyl]-2-methylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for N-[(1-methylbenzimidazol-2-yl)methyl]-2-methylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide is Cn1c(CNC(=O)C2CN(S(C)(=O)=O)CC23CCCCC3)nc2ccccc21.
What is the InChIKey of N-[(1-methylbenzimidazol-2-yl)methyl]-2-methylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is WFEZTBSFIRHDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3S/c1-23-17-9-5-4-8-16(17)22-18(23)12-21-19(25)15-13-24(28(2,26)27)14-20(15)10-6-3-7-11-20/h4-5,8-9,15H,3,6-7,10-14H2,1-2H3,(H,21,25).
What are the key properties of N-[(1-methylbenzimidazol-2-yl)methyl]-2-methylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide?
N-[(1-methylbenzimidazol-2-yl)methyl]-2-methylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 404.54 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylbenzimidazol-2-yl)methyl]-2-methylsulfonyl-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 71837112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).