N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide

C17H20N4O2S — CID 56782403

IUPACN-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
SMILESCc1ncc(CN(C)C(=O)CCCc2ccc3[nH]c(=O)[nH]c3c2)s1
InChIInChI=1S/C17H20N4O2S/c1-11-18-9-13(24-11)10-21(2)16(22)5-3-4-12-6-7-14-15(8-12)20-17(23)19-14/h6-9H,3-5,10H2,1-2H3,(H2,19,20,23)
InChIKeyMZTFAYSGIHCPMO-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.60
Rot. Bonds6

About N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide

N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide (PubChem CID 56782403) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide.

Molecular Properties

Compound NameN-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
PubChem CID56782403
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC NameN-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
SMILESCc1ncc(CN(C)C(=O)CCCc2ccc3[nH]c(=O)[nH]c3c2)s1
InChIInChI=1S/C17H20N4O2S/c1-11-18-9-13(24-11)10-21(2)16(22)5-3-4-12-6-7-14-15(8-12)20-17(23)19-14/h6-9H,3-5,10H2,1-2H3,(H2,19,20,23)
InChIKeyMZTFAYSGIHCPMO-UHFFFAOYSA-N
XLogP2.60
TPSA81.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-methylpropyl)-N-methyl-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
CID 111663080
2-(4-aminophenyl)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide;dihydrochloride
CID 119859279
2-chloro-N-methyl-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]acetamide
CID 115162212
3-cyano-N-methyl-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]propanamide
CID 115173887
N-methyl-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-N-pyrrolidin-3-ylbutanamide
CID 119553466
3-(2,5-dioxoimidazolidin-4-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 167754621
N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-piperidin-4-ylpropanamide
CID 62212128
5-[[methyl(4-oxopentyl)amino]methyl]-1,3-dihydrobenzimidazol-2-one
CID 115236618
N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-[methyl-[(2-methyl-1,3-thiazol-5-yl)methyl]amino]acetamide
CID 55827368
N,N-dimethyl-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 22745185
N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
CID 75420030
5-(4-chlorobutyl)-1,3-dihydrobenzimidazol-2-one
CID 87983574

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide?
The IUPAC name of N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide (CID 56782403) is N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide.
What is the SMILES notation for N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide?
The canonical SMILES for N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide is Cc1ncc(CN(C)C(=O)CCCc2ccc3[nH]c(=O)[nH]c3c2)s1.
What is the InChIKey of N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide?
The InChIKey is MZTFAYSGIHCPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-11-18-9-13(24-11)10-21(2)16(22)5-3-4-12-6-7-14-15(8-12)20-17(23)19-14/h6-9H,3-5,10H2,1-2H3,(H2,19,20,23).
What are the key properties of N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide?
N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide has a molecular weight of 344.44 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide is sourced from PubChem (CID 56782403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).