N-[(1-methylbenzimidazol-2-yl)methyl]-4-methylsulfanyl-2-pyrrol-1-ylbutanamide

C18H22N4OS — CID 121240297

IUPACN-[(1-methylbenzimidazol-2-yl)methyl]-4-methylsulfanyl-2-pyrrol-1-ylbutanamide
SMILESCSCCC(C(=O)NCc1nc2ccccc2n1C)n1cccc1
InChIInChI=1S/C18H22N4OS/c1-21-15-8-4-3-7-14(15)20-17(21)13-19-18(23)16(9-12-24-2)22-10-5-6-11-22/h3-8,10-11,16H,9,12-13H2,1-2H3,(H,19,23)
InChIKeyRKNVTNRCOFUHNE-UHFFFAOYSA-N
MW342.47 g/mol
LogP2.99
Rot. Bonds7

About N-[(1-methylbenzimidazol-2-yl)methyl]-4-methylsulfanyl-2-pyrrol-1-ylbutanamide

N-[(1-methylbenzimidazol-2-yl)methyl]-4-methylsulfanyl-2-pyrrol-1-ylbutanamide (PubChem CID 121240297) has the molecular formula C18H22N4OS and a molecular weight of 342.47 g/mol. Its IUPAC name is N-[(1-methylbenzimidazol-2-yl)methyl]-4-methylsulfanyl-2-pyrrol-1-ylbutanamide.

Molecular Properties

Compound NameN-[(1-methylbenzimidazol-2-yl)methyl]-4-methylsulfanyl-2-pyrrol-1-ylbutanamide
PubChem CID121240297
Molecular FormulaC18H22N4OS
Molecular Weight342.47 g/mol
Exact Mass342.15
IUPAC NameN-[(1-methylbenzimidazol-2-yl)methyl]-4-methylsulfanyl-2-pyrrol-1-ylbutanamide
SMILESCSCCC(C(=O)NCc1nc2ccccc2n1C)n1cccc1
InChIInChI=1S/C18H22N4OS/c1-21-15-8-4-3-7-14(15)20-17(21)13-19-18(23)16(9-12-24-2)22-10-5-6-11-22/h3-8,10-11,16H,9,12-13H2,1-2H3,(H,19,23)
InChIKeyRKNVTNRCOFUHNE-UHFFFAOYSA-N
XLogP2.99
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(1-methylbenzimidazol-2-yl)ethyl]-4-methylsulfanyl-2-pyrrol-1-ylbutanamide
CID 121239761
N-[(1-methylbenzimidazol-2-yl)methyl]-4-methylsulfanylbutan-2-amine
CID 115640025
2-hydroxy-N-[(1-methylbenzimidazol-2-yl)methyl]-2-phenylacetamide
CID 47012390
4-methyl-N-[5-(1-methylbenzimidazol-2-yl)pentyl]-2-pyrrol-1-ylpentanamide
CID 121239237
4-methylsulfanyl-2-pyrrol-1-yl-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]butanamide
CID 121238820
1-(2,2-dimethylpropyl)-3-[(1-methylbenzimidazol-2-yl)methyl]urea
CID 110747240
N-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-methylsulfanyl-2-pyrrol-1-ylbutanamide
CID 121239997
2-methyl-N-[2-[(1-methylbenzimidazol-2-yl)methylamino]ethyl]propanamide
CID 62997725
N-[1-(2-methylpropyl)indol-4-yl]-4-methylsulfanyl-2-pyrrol-1-ylbutanamide
CID 121240638
2-[(1-methylbenzimidazol-2-yl)methylamino]-N-propylpropanamide
CID 60677060
3-(2-bromophenyl)-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide
CID 60528463
N-[(1-methylbenzimidazol-2-yl)methyl]-2-phenoxybutanamide
CID 51073455

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylbenzimidazol-2-yl)methyl]-4-methylsulfanyl-2-pyrrol-1-ylbutanamide?
The IUPAC name of N-[(1-methylbenzimidazol-2-yl)methyl]-4-methylsulfanyl-2-pyrrol-1-ylbutanamide (CID 121240297) is N-[(1-methylbenzimidazol-2-yl)methyl]-4-methylsulfanyl-2-pyrrol-1-ylbutanamide.
What is the SMILES notation for N-[(1-methylbenzimidazol-2-yl)methyl]-4-methylsulfanyl-2-pyrrol-1-ylbutanamide?
The canonical SMILES for N-[(1-methylbenzimidazol-2-yl)methyl]-4-methylsulfanyl-2-pyrrol-1-ylbutanamide is CSCCC(C(=O)NCc1nc2ccccc2n1C)n1cccc1.
What is the InChIKey of N-[(1-methylbenzimidazol-2-yl)methyl]-4-methylsulfanyl-2-pyrrol-1-ylbutanamide?
The InChIKey is RKNVTNRCOFUHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4OS/c1-21-15-8-4-3-7-14(15)20-17(21)13-19-18(23)16(9-12-24-2)22-10-5-6-11-22/h3-8,10-11,16H,9,12-13H2,1-2H3,(H,19,23).
What are the key properties of N-[(1-methylbenzimidazol-2-yl)methyl]-4-methylsulfanyl-2-pyrrol-1-ylbutanamide?
N-[(1-methylbenzimidazol-2-yl)methyl]-4-methylsulfanyl-2-pyrrol-1-ylbutanamide has a molecular weight of 342.47 g/mol, XLogP of 2.99, 7 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]-4-methylsulfanyl-2-pyrrol-1-ylbutanamide is sourced from PubChem (CID 121240297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).