1-ethyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]benzimidazol-2-one

C14H15N3OS — CID 115596511

IUPAC1-ethyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]benzimidazol-2-one
SMILESCCn1c(=O)n(Cc2cnc(C)s2)c2ccccc21
InChIInChI=1S/C14H15N3OS/c1-3-16-12-6-4-5-7-13(12)17(14(16)18)9-11-8-15-10(2)19-11/h4-8H,3,9H2,1-2H3
InChIKeyVJFAEGFHKIBOOE-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.64
Rot. Bonds3

About 1-ethyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]benzimidazol-2-one

1-ethyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]benzimidazol-2-one (PubChem CID 115596511) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is 1-ethyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]benzimidazol-2-one.

Molecular Properties

Compound Name1-ethyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]benzimidazol-2-one
PubChem CID115596511
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name1-ethyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]benzimidazol-2-one
SMILESCCn1c(=O)n(Cc2cnc(C)s2)c2ccccc21
InChIInChI=1S/C14H15N3OS/c1-3-16-12-6-4-5-7-13(12)17(14(16)18)9-11-8-15-10(2)19-11/h4-8H,3,9H2,1-2H3
InChIKeyVJFAEGFHKIBOOE-UHFFFAOYSA-N
XLogP2.64
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]benzimidazol-2-one?
The IUPAC name of 1-ethyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]benzimidazol-2-one (CID 115596511) is 1-ethyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]benzimidazol-2-one.
What is the SMILES notation for 1-ethyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]benzimidazol-2-one?
The canonical SMILES for 1-ethyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]benzimidazol-2-one is CCn1c(=O)n(Cc2cnc(C)s2)c2ccccc21.
What is the InChIKey of 1-ethyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]benzimidazol-2-one?
The InChIKey is VJFAEGFHKIBOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c1-3-16-12-6-4-5-7-13(12)17(14(16)18)9-11-8-15-10(2)19-11/h4-8H,3,9H2,1-2H3.
What are the key properties of 1-ethyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]benzimidazol-2-one?
1-ethyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]benzimidazol-2-one has a molecular weight of 273.36 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(2-methyl-1,3-thiazol-5-yl)methyl]benzimidazol-2-one is sourced from PubChem (CID 115596511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).