N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

C15H16N4OS — CID 9123515

IUPACN-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)NCCc2nc3ccccc3[nH]2)cs1
InChIInChI=1S/C15H16N4OS/c1-10-17-11(9-21-10)8-15(20)16-7-6-14-18-12-4-2-3-5-13(12)19-14/h2-5,9H,6-8H2,1H3,(H,16,20)(H,18,19)
InChIKeyPXXGKZXWQZGZDV-UHFFFAOYSA-N
MW300.39 g/mol
LogP2.23
Rot. Bonds5

About N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (PubChem CID 9123515) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
PubChem CID9123515
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC NameN-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)NCCc2nc3ccccc3[nH]2)cs1
InChIInChI=1S/C15H16N4OS/c1-10-17-11(9-21-10)8-15(20)16-7-6-14-18-12-4-2-3-5-13(12)19-14/h2-5,9H,6-8H2,1H3,(H,16,20)(H,18,19)
InChIKeyPXXGKZXWQZGZDV-UHFFFAOYSA-N
XLogP2.23
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (CID 9123515) is N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is Cc1nc(CC(=O)NCCc2nc3ccccc3[nH]2)cs1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is PXXGKZXWQZGZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c1-10-17-11(9-21-10)8-15(20)16-7-6-14-18-12-4-2-3-5-13(12)19-14/h2-5,9H,6-8H2,1H3,(H,16,20)(H,18,19).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 300.39 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 9123515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).