1-(2-ethoxyethyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-oxo-3H-benzimidazole-5-carboxamide

C18H22N4O3S — CID 70708783

IUPAC1-(2-ethoxyethyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-oxo-3H-benzimidazole-5-carboxamide
SMILESCCOCCn1c(=O)[nH]c2cc(C(=O)NCCc3scnc3C)ccc21
InChIInChI=1S/C18H22N4O3S/c1-3-25-9-8-22-15-5-4-13(10-14(15)21-18(22)24)17(23)19-7-6-16-12(2)20-11-26-16/h4-5,10-11H,3,6-9H2,1-2H3,(H,19,23)(H,21,24)
InChIKeyWBFGQNYTIGCKTN-UHFFFAOYSA-N
MW374.47 g/mol
LogP2.10
Rot. Bonds8

About 1-(2-ethoxyethyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-oxo-3H-benzimidazole-5-carboxamide

1-(2-ethoxyethyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-oxo-3H-benzimidazole-5-carboxamide (PubChem CID 70708783) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-oxo-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-oxo-3H-benzimidazole-5-carboxamide
PubChem CID70708783
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC Name1-(2-ethoxyethyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-oxo-3H-benzimidazole-5-carboxamide
SMILESCCOCCn1c(=O)[nH]c2cc(C(=O)NCCc3scnc3C)ccc21
InChIInChI=1S/C18H22N4O3S/c1-3-25-9-8-22-15-5-4-13(10-14(15)21-18(22)24)17(23)19-7-6-16-12(2)20-11-26-16/h4-5,10-11H,3,6-9H2,1-2H3,(H,19,23)(H,21,24)
InChIKeyWBFGQNYTIGCKTN-UHFFFAOYSA-N
XLogP2.10
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-oxo-3H-benzimidazole-5-carboxamide?
The IUPAC name of 1-(2-ethoxyethyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-oxo-3H-benzimidazole-5-carboxamide (CID 70708783) is 1-(2-ethoxyethyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-oxo-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 1-(2-ethoxyethyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-oxo-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 1-(2-ethoxyethyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-oxo-3H-benzimidazole-5-carboxamide is CCOCCn1c(=O)[nH]c2cc(C(=O)NCCc3scnc3C)ccc21.
What is the InChIKey of 1-(2-ethoxyethyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-oxo-3H-benzimidazole-5-carboxamide?
The InChIKey is WBFGQNYTIGCKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-3-25-9-8-22-15-5-4-13(10-14(15)21-18(22)24)17(23)19-7-6-16-12(2)20-11-26-16/h4-5,10-11H,3,6-9H2,1-2H3,(H,19,23)(H,21,24).
What are the key properties of 1-(2-ethoxyethyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-oxo-3H-benzimidazole-5-carboxamide?
1-(2-ethoxyethyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-oxo-3H-benzimidazole-5-carboxamide has a molecular weight of 374.47 g/mol, XLogP of 2.10, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-oxo-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 70708783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).