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

C18H22N4O3S — CID 70759845

IUPACN-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(2-ethoxyethyl)-2-oxo-3H-benzimidazole-5-carboxamide
SMILESCCOCCn1c(=O)[nH]c2cc(C(=O)NCc3nc(C)c(C)s3)ccc21
InChIInChI=1S/C18H22N4O3S/c1-4-25-8-7-22-15-6-5-13(9-14(15)21-18(22)24)17(23)19-10-16-20-11(2)12(3)26-16/h5-6,9H,4,7-8,10H2,1-3H3,(H,19,23)(H,21,24)
InChIKeyUCAIYQHWTFAWHS-UHFFFAOYSA-N
MW374.47 g/mol
LogP2.37
Rot. Bonds7

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

N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(2-ethoxyethyl)-2-oxo-3H-benzimidazole-5-carboxamide (PubChem CID 70759845) has the molecular formula C18H22N4O3S and a molecular weight of 374.47 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(2-ethoxyethyl)-2-oxo-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(2-ethoxyethyl)-2-oxo-3H-benzimidazole-5-carboxamide
PubChem CID70759845
Molecular FormulaC18H22N4O3S
Molecular Weight374.47 g/mol
Exact Mass374.14
IUPAC NameN-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(2-ethoxyethyl)-2-oxo-3H-benzimidazole-5-carboxamide
SMILESCCOCCn1c(=O)[nH]c2cc(C(=O)NCc3nc(C)c(C)s3)ccc21
InChIInChI=1S/C18H22N4O3S/c1-4-25-8-7-22-15-6-5-13(9-14(15)21-18(22)24)17(23)19-10-16-20-11(2)12(3)26-16/h5-6,9H,4,7-8,10H2,1-3H3,(H,19,23)(H,21,24)
InChIKeyUCAIYQHWTFAWHS-UHFFFAOYSA-N
XLogP2.37
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 52.37
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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Related Compounds

1-(2-ethoxyethyl)-N-ethyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 70775195
1-(2-ethoxyethyl)-N-[(2-methylphenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide
CID 70764381
N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-1-(2-ethoxyethyl)-2-oxo-3H-benzimidazole-5-carboxamide
CID 70726471
1-(2-ethoxyethyl)-2-oxo-3H-benzimidazole-5-carboxylic acid
CID 43591138
1-(2-ethoxyethyl)-N,N-dimethyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 70707341
1-(2-ethoxyethyl)-N-[(1-hydroxycyclohexyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide
CID 70782291
1-(2-ethoxyethyl)-N,N-diethyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 70752092
N-benzyl-1-(2-ethoxyethyl)-N-methyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 70726920
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3,4-dimethylbenzamide
CID 110739109
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 110444788
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]benzamide
CID 58883688
3-(2-ethoxyethyl)-6-(morpholine-4-carbonyl)-1H-benzimidazol-2-one
CID 70729310

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(2-ethoxyethyl)-2-oxo-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(2-ethoxyethyl)-2-oxo-3H-benzimidazole-5-carboxamide (CID 70759845) is N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(2-ethoxyethyl)-2-oxo-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(2-ethoxyethyl)-2-oxo-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(2-ethoxyethyl)-2-oxo-3H-benzimidazole-5-carboxamide is CCOCCn1c(=O)[nH]c2cc(C(=O)NCc3nc(C)c(C)s3)ccc21.
What is the InChIKey of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(2-ethoxyethyl)-2-oxo-3H-benzimidazole-5-carboxamide?
The InChIKey is UCAIYQHWTFAWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S/c1-4-25-8-7-22-15-6-5-13(9-14(15)21-18(22)24)17(23)19-10-16-20-11(2)12(3)26-16/h5-6,9H,4,7-8,10H2,1-3H3,(H,19,23)(H,21,24).
What are the key properties of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(2-ethoxyethyl)-2-oxo-3H-benzimidazole-5-carboxamide?
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(2-ethoxyethyl)-2-oxo-3H-benzimidazole-5-carboxamide has a molecular weight of 374.47 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-1-(2-ethoxyethyl)-2-oxo-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 70759845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).