2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide

C19H18N4O3 — CID 17478083

IUPAC2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide
SMILESCCn1c(=O)n(CC(=O)Nc2ccc3oc(C)nc3c2)c2ccccc21
InChIInChI=1S/C19H18N4O3/c1-3-22-15-6-4-5-7-16(15)23(19(22)25)11-18(24)21-13-8-9-17-14(10-13)20-12(2)26-17/h4-10H,3,11H2,1-2H3,(H,21,24)
InChIKeyCTTPQYMJSUXEHI-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.91
Rot. Bonds4

About 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide

2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide (PubChem CID 17478083) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide
PubChem CID17478083
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide
SMILESCCn1c(=O)n(CC(=O)Nc2ccc3oc(C)nc3c2)c2ccccc21
InChIInChI=1S/C19H18N4O3/c1-3-22-15-6-4-5-7-16(15)23(19(22)25)11-18(24)21-13-8-9-17-14(10-13)20-12(2)26-17/h4-10H,3,11H2,1-2H3,(H,21,24)
InChIKeyCTTPQYMJSUXEHI-UHFFFAOYSA-N
XLogP2.91
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide?
The IUPAC name of 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide (CID 17478083) is 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide.
What is the SMILES notation for 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide?
The canonical SMILES for 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide is CCn1c(=O)n(CC(=O)Nc2ccc3oc(C)nc3c2)c2ccccc21.
What is the InChIKey of 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide?
The InChIKey is CTTPQYMJSUXEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-3-22-15-6-4-5-7-16(15)23(19(22)25)11-18(24)21-13-8-9-17-14(10-13)20-12(2)26-17/h4-10H,3,11H2,1-2H3,(H,21,24).
What are the key properties of 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide?
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide has a molecular weight of 350.38 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide is sourced from PubChem (CID 17478083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).