2-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C15H15N5O3S — CID 24979014

IUPAC2-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CSCC(=O)Nc2nc3ccccc3[nH]2)no1
InChIInChI=1S/C15H15N5O3S/c1-9-6-12(20-23-9)18-13(21)7-24-8-14(22)19-15-16-10-4-2-3-5-11(10)17-15/h2-6H,7-8H2,1H3,(H,18,20,21)(H2,16,17,19,22)
InChIKeyHQEVAGVUQJWKPT-UHFFFAOYSA-N
MW345.38 g/mol
LogP2.17
Rot. Bonds6

About 2-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 24979014) has the molecular formula C15H15N5O3S and a molecular weight of 345.38 g/mol. Its IUPAC name is 2-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID24979014
Molecular FormulaC15H15N5O3S
Molecular Weight345.38 g/mol
Exact Mass345.09
IUPAC Name2-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CSCC(=O)Nc2nc3ccccc3[nH]2)no1
InChIInChI=1S/C15H15N5O3S/c1-9-6-12(20-23-9)18-13(21)7-24-8-14(22)19-15-16-10-4-2-3-5-11(10)17-15/h2-6H,7-8H2,1H3,(H,18,20,21)(H2,16,17,19,22)
InChIKeyHQEVAGVUQJWKPT-UHFFFAOYSA-N
XLogP2.17
TPSA112.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 24979014) is 2-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)CSCC(=O)Nc2nc3ccccc3[nH]2)no1.
What is the InChIKey of 2-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is HQEVAGVUQJWKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3S/c1-9-6-12(20-23-9)18-13(21)7-24-8-14(22)19-15-16-10-4-2-3-5-11(10)17-15/h2-6H,7-8H2,1H3,(H,18,20,21)(H2,16,17,19,22).
What are the key properties of 2-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 345.38 g/mol, XLogP of 2.17, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 24979014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).