N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetamide

C18H22N4O2S — CID 91793250

IUPACN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetamide
SMILESCc1nc(C(C)NC(=O)COCc2nc3c(C)cccc3[nH]2)c(C)s1
InChIInChI=1S/C18H22N4O2S/c1-10-6-5-7-14-17(10)22-15(21-14)8-24-9-16(23)19-11(2)18-12(3)25-13(4)20-18/h5-7,11H,8-9H2,1-4H3,(H,19,23)(H,21,22)
InChIKeyXVWNYWKODDPBRD-UHFFFAOYSA-N
MW358.47 g/mol
LogP3.34
Rot. Bonds6

About N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetamide

N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetamide (PubChem CID 91793250) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetamide
PubChem CID91793250
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC NameN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetamide
SMILESCc1nc(C(C)NC(=O)COCc2nc3c(C)cccc3[nH]2)c(C)s1
InChIInChI=1S/C18H22N4O2S/c1-10-6-5-7-14-17(10)22-15(21-14)8-24-9-16(23)19-11(2)18-12(3)25-13(4)20-18/h5-7,11H,8-9H2,1-4H3,(H,19,23)(H,21,22)
InChIKeyXVWNYWKODDPBRD-UHFFFAOYSA-N
XLogP3.34
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetamide?
The IUPAC name of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetamide (CID 91793250) is N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetamide.
What is the SMILES notation for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetamide?
The canonical SMILES for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetamide is Cc1nc(C(C)NC(=O)COCc2nc3c(C)cccc3[nH]2)c(C)s1.
What is the InChIKey of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetamide?
The InChIKey is XVWNYWKODDPBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S/c1-10-6-5-7-14-17(10)22-15(21-14)8-24-9-16(23)19-11(2)18-12(3)25-13(4)20-18/h5-7,11H,8-9H2,1-4H3,(H,19,23)(H,21,22).
What are the key properties of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetamide?
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetamide has a molecular weight of 358.47 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-[(4-methyl-1H-benzimidazol-2-yl)methoxy]acetamide is sourced from PubChem (CID 91793250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).