N-[(1-methylbenzimidazol-2-yl)methyl]-2-methylsulfonyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide

C19H25N5O3S — CID 3653200

IUPACN-[(1-methylbenzimidazol-2-yl)methyl]-2-methylsulfonyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide
SMILESCc1nn(C)c(C)c1CN(Cc1nc2ccccc2n1C)C(=O)CS(C)(=O)=O
InChIInChI=1S/C19H25N5O3S/c1-13-15(14(2)23(4)21-13)10-24(19(25)12-28(5,26)27)11-18-20-16-8-6-7-9-17(16)22(18)3/h6-9H,10-12H2,1-5H3
InChIKeyHQVJWOKUEVLIHS-UHFFFAOYSA-N
MW403.51 g/mol
LogP1.50
Rot. Bonds6

About N-[(1-methylbenzimidazol-2-yl)methyl]-2-methylsulfonyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide

N-[(1-methylbenzimidazol-2-yl)methyl]-2-methylsulfonyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide (PubChem CID 3653200) has the molecular formula C19H25N5O3S and a molecular weight of 403.51 g/mol. Its IUPAC name is N-[(1-methylbenzimidazol-2-yl)methyl]-2-methylsulfonyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(1-methylbenzimidazol-2-yl)methyl]-2-methylsulfonyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide
PubChem CID3653200
Molecular FormulaC19H25N5O3S
Molecular Weight403.51 g/mol
Exact Mass403.17
IUPAC NameN-[(1-methylbenzimidazol-2-yl)methyl]-2-methylsulfonyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide
SMILESCc1nn(C)c(C)c1CN(Cc1nc2ccccc2n1C)C(=O)CS(C)(=O)=O
InChIInChI=1S/C19H25N5O3S/c1-13-15(14(2)23(4)21-13)10-24(19(25)12-28(5,26)27)11-18-20-16-8-6-7-9-17(16)22(18)3/h6-9H,10-12H2,1-5H3
InChIKeyHQVJWOKUEVLIHS-UHFFFAOYSA-N
XLogP1.50
TPSA90.09 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[(1-methylbenzimidazol-2-yl)methyl]-2-methylsulfonyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide with MolForge

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Related Compounds

2-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]guanidine
CID 111952181
2-[bis[(1-methylbenzimidazol-2-yl)methyl]amino]acetic acid
CID 101152444
2-(chloromethyl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzimidazole
CID 79238244
(2S)-2-amino-3-[(1-methylbenzimidazol-2-yl)methyl-sulfamoylamino]propanoic acid
CID 67155047
N-[(1-methylbenzimidazol-2-yl)methyl]methanesulfonamide
CID 110712040
methyl 2-[bis[(1-methylbenzimidazol-2-yl)methyl]amino]acetate
CID 86237797
N-methyl-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
CID 91951350
N-[(1-methylimidazol-2-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 42780924
N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-3-propan-2-yloxypropanamide
CID 56787204
N-[(1-methylbenzimidazol-2-yl)methyl]-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 3290235
2-methoxy-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-phenylacetamide
CID 56739020
N-ethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoline-6-carboxamide
CID 91762656

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylbenzimidazol-2-yl)methyl]-2-methylsulfonyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide?
The IUPAC name of N-[(1-methylbenzimidazol-2-yl)methyl]-2-methylsulfonyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide (CID 3653200) is N-[(1-methylbenzimidazol-2-yl)methyl]-2-methylsulfonyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for N-[(1-methylbenzimidazol-2-yl)methyl]-2-methylsulfonyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide?
The canonical SMILES for N-[(1-methylbenzimidazol-2-yl)methyl]-2-methylsulfonyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide is Cc1nn(C)c(C)c1CN(Cc1nc2ccccc2n1C)C(=O)CS(C)(=O)=O.
What is the InChIKey of N-[(1-methylbenzimidazol-2-yl)methyl]-2-methylsulfonyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide?
The InChIKey is HQVJWOKUEVLIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3S/c1-13-15(14(2)23(4)21-13)10-24(19(25)12-28(5,26)27)11-18-20-16-8-6-7-9-17(16)22(18)3/h6-9H,10-12H2,1-5H3.
What are the key properties of N-[(1-methylbenzimidazol-2-yl)methyl]-2-methylsulfonyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide?
N-[(1-methylbenzimidazol-2-yl)methyl]-2-methylsulfonyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide has a molecular weight of 403.51 g/mol, XLogP of 1.50, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylbenzimidazol-2-yl)methyl]-2-methylsulfonyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 3653200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).