N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-propan-2-ylsulfanylbenzamide

C19H21N3O2S — CID 6498925

IUPACN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-propan-2-ylsulfanylbenzamide
SMILESCC(C)Sc1ccccc1C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C19H21N3O2S/c1-12(2)25-17-8-6-5-7-14(17)18(23)20-13-9-10-15-16(11-13)22(4)19(24)21(15)3/h5-12H,1-4H3,(H,20,23)
InChIKeyFJTSMOSICZMYMI-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.63
Rot. Bonds4

About N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-propan-2-ylsulfanylbenzamide

N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-propan-2-ylsulfanylbenzamide (PubChem CID 6498925) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-propan-2-ylsulfanylbenzamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-propan-2-ylsulfanylbenzamide
PubChem CID6498925
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-propan-2-ylsulfanylbenzamide
SMILESCC(C)Sc1ccccc1C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C19H21N3O2S/c1-12(2)25-17-8-6-5-7-14(17)18(23)20-13-9-10-15-16(11-13)22(4)19(24)21(15)3/h5-12H,1-4H3,(H,20,23)
InChIKeyFJTSMOSICZMYMI-UHFFFAOYSA-N
XLogP3.63
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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4-(Allyl-methanesulfonyl-amino)-N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzoimidazol-5-yl)-benzamide
CID 6492933
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CID 24790912
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CID 90654528
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CID 90654529
N-(1,3-Dimethyl-2-oxo-2,3-dihydro-1H-benzoimidazol-5-yl)-2-(4-oxo-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetamide
CID 135417536
N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-4-ethylbenzamide
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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-propan-2-ylsulfanylbenzamide?
The IUPAC name of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-propan-2-ylsulfanylbenzamide (CID 6498925) is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-propan-2-ylsulfanylbenzamide.
What is the SMILES notation for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-propan-2-ylsulfanylbenzamide?
The canonical SMILES for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-propan-2-ylsulfanylbenzamide is CC(C)Sc1ccccc1C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C.
What is the InChIKey of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-propan-2-ylsulfanylbenzamide?
The InChIKey is FJTSMOSICZMYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-12(2)25-17-8-6-5-7-14(17)18(23)20-13-9-10-15-16(11-13)22(4)19(24)21(15)3/h5-12H,1-4H3,(H,20,23).
What are the key properties of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-propan-2-ylsulfanylbenzamide?
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-propan-2-ylsulfanylbenzamide has a molecular weight of 355.46 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-propan-2-ylsulfanylbenzamide is sourced from PubChem (CID 6498925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).