3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide

C20H18N4O2S — CID 16598987

IUPAC3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
SMILESCn1c(=O)n(CCC(=O)Nc2ccc(-c3nccs3)cc2)c2ccccc21
InChIInChI=1S/C20H18N4O2S/c1-23-16-4-2-3-5-17(16)24(20(23)26)12-10-18(25)22-15-8-6-14(7-9-15)19-21-11-13-27-19/h2-9,11,13H,10,12H2,1H3,(H,22,25)
InChIKeyICQMMVHAWKLRIX-UHFFFAOYSA-N
MW378.46 g/mol
LogP3.49
Rot. Bonds5

About 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide

3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide (PubChem CID 16598987) has the molecular formula C20H18N4O2S and a molecular weight of 378.46 g/mol. Its IUPAC name is 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
PubChem CID16598987
Molecular FormulaC20H18N4O2S
Molecular Weight378.46 g/mol
Exact Mass378.12
IUPAC Name3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide
SMILESCn1c(=O)n(CCC(=O)Nc2ccc(-c3nccs3)cc2)c2ccccc21
InChIInChI=1S/C20H18N4O2S/c1-23-16-4-2-3-5-17(16)24(20(23)26)12-10-18(25)22-15-8-6-14(7-9-15)19-21-11-13-27-19/h2-9,11,13H,10,12H2,1H3,(H,22,25)
InChIKeyICQMMVHAWKLRIX-UHFFFAOYSA-N
XLogP3.49
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide?
The IUPAC name of 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide (CID 16598987) is 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide.
What is the SMILES notation for 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide?
The canonical SMILES for 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide is Cn1c(=O)n(CCC(=O)Nc2ccc(-c3nccs3)cc2)c2ccccc21.
What is the InChIKey of 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide?
The InChIKey is ICQMMVHAWKLRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2S/c1-23-16-4-2-3-5-17(16)24(20(23)26)12-10-18(25)22-15-8-6-14(7-9-15)19-21-11-13-27-19/h2-9,11,13H,10,12H2,1H3,(H,22,25).
What are the key properties of 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide?
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide has a molecular weight of 378.46 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[4-(1,3-thiazol-2-yl)phenyl]propanamide is sourced from PubChem (CID 16598987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).