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

C18H22N4O3S — CID 70712499

IUPAC1-(2-ethoxyethyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide
SMILESCCOCCn1c(=O)[nH]c2cc(C(=O)NCc3csc(CC)n3)ccc21
InChIInChI=1S/C18H22N4O3S/c1-3-16-20-13(11-26-16)10-19-17(23)12-5-6-15-14(9-12)21-18(24)22(15)7-8-25-4-2/h5-6,9,11H,3-4,7-8,10H2,1-2H3,(H,19,23)(H,21,24)
InChIKeyFBERRLPMCHFTQE-UHFFFAOYSA-N
MW374.47 g/mol
LogP2.32
Rot. Bonds8

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

1-(2-ethoxyethyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide (PubChem CID 70712499) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide
PubChem CID70712499
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC Name1-(2-ethoxyethyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide
SMILESCCOCCn1c(=O)[nH]c2cc(C(=O)NCc3csc(CC)n3)ccc21
InChIInChI=1S/C18H22N4O3S/c1-3-16-20-13(11-26-16)10-19-17(23)12-5-6-15-14(9-12)21-18(24)22(15)7-8-25-4-2/h5-6,9,11H,3-4,7-8,10H2,1-2H3,(H,19,23)(H,21,24)
InChIKeyFBERRLPMCHFTQE-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide?
The IUPAC name of 1-(2-ethoxyethyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide (CID 70712499) is 1-(2-ethoxyethyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 1-(2-ethoxyethyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 1-(2-ethoxyethyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide is CCOCCn1c(=O)[nH]c2cc(C(=O)NCc3csc(CC)n3)ccc21.
What is the InChIKey of 1-(2-ethoxyethyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide?
The InChIKey is FBERRLPMCHFTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-3-16-20-13(11-26-16)10-19-17(23)12-5-6-15-14(9-12)21-18(24)22(15)7-8-25-4-2/h5-6,9,11H,3-4,7-8,10H2,1-2H3,(H,19,23)(H,21,24).
What are the key properties of 1-(2-ethoxyethyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide?
1-(2-ethoxyethyl)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide has a molecular weight of 374.47 g/mol, XLogP of 2.32, 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-ethyl-1,3-thiazol-4-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 70712499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).