3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide

C19H22N4O2S — CID 24604003

IUPAC3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide
SMILESCn1c(=O)n(CCC(=O)Nc2nc3c(s2)CCCCC3)c2ccccc21
InChIInChI=1S/C19H22N4O2S/c1-22-14-8-5-6-9-15(14)23(19(22)25)12-11-17(24)21-18-20-13-7-3-2-4-10-16(13)26-18/h5-6,8-9H,2-4,7,10-12H2,1H3,(H,20,21,24)
InChIKeyIPYWBSZMGYYARN-UHFFFAOYSA-N
MW370.48 g/mol
LogP3.09
Rot. Bonds4

About 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide

3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide (PubChem CID 24604003) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide
PubChem CID24604003
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC Name3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide
SMILESCn1c(=O)n(CCC(=O)Nc2nc3c(s2)CCCCC3)c2ccccc21
InChIInChI=1S/C19H22N4O2S/c1-22-14-8-5-6-9-15(14)23(19(22)25)12-11-17(24)21-18-20-13-7-3-2-4-10-16(13)26-18/h5-6,8-9H,2-4,7,10-12H2,1H3,(H,20,21,24)
InChIKeyIPYWBSZMGYYARN-UHFFFAOYSA-N
XLogP3.09
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 53.09
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-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide?
The IUPAC name of 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide (CID 24604003) is 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide.
What is the SMILES notation for 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide?
The canonical SMILES for 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide is Cn1c(=O)n(CCC(=O)Nc2nc3c(s2)CCCCC3)c2ccccc21.
What is the InChIKey of 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide?
The InChIKey is IPYWBSZMGYYARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-22-14-8-5-6-9-15(14)23(19(22)25)12-11-17(24)21-18-20-13-7-3-2-4-10-16(13)26-18/h5-6,8-9H,2-4,7,10-12H2,1H3,(H,20,21,24).
What are the key properties of 3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide?
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide has a molecular weight of 370.48 g/mol, XLogP of 3.09, 4 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-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)propanamide is sourced from PubChem (CID 24604003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).