N-benzyl-1-(2-ethoxyethyl)-N-methyl-2-oxo-3H-benzimidazole-5-carboxamide

C20H23N3O3 — CID 70726920

IUPACN-benzyl-1-(2-ethoxyethyl)-N-methyl-2-oxo-3H-benzimidazole-5-carboxamide
SMILESCCOCCn1c(=O)[nH]c2cc(C(=O)N(C)Cc3ccccc3)ccc21
InChIInChI=1S/C20H23N3O3/c1-3-26-12-11-23-18-10-9-16(13-17(18)21-20(23)25)19(24)22(2)14-15-7-5-4-6-8-15/h4-10,13H,3,11-12,14H2,1-2H3,(H,21,25)
InChIKeyXZZZCKSXTAJLOA-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.64
Rot. Bonds7

About N-benzyl-1-(2-ethoxyethyl)-N-methyl-2-oxo-3H-benzimidazole-5-carboxamide

N-benzyl-1-(2-ethoxyethyl)-N-methyl-2-oxo-3H-benzimidazole-5-carboxamide (PubChem CID 70726920) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-benzyl-1-(2-ethoxyethyl)-N-methyl-2-oxo-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(2-ethoxyethyl)-N-methyl-2-oxo-3H-benzimidazole-5-carboxamide
PubChem CID70726920
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-benzyl-1-(2-ethoxyethyl)-N-methyl-2-oxo-3H-benzimidazole-5-carboxamide
SMILESCCOCCn1c(=O)[nH]c2cc(C(=O)N(C)Cc3ccccc3)ccc21
InChIInChI=1S/C20H23N3O3/c1-3-26-12-11-23-18-10-9-16(13-17(18)21-20(23)25)19(24)22(2)14-15-7-5-4-6-8-15/h4-10,13H,3,11-12,14H2,1-2H3,(H,21,25)
InChIKeyXZZZCKSXTAJLOA-UHFFFAOYSA-N
XLogP2.64
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 2212314
5-Benzoyl-1,3-dimethyl-2(3H)-benzimidazolone
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compound 1 (PMID: 25408830)
CID 1091852
N-(2-morpholinoethyl)-4-(3-(4-(trifluoromethyl)phenyl)ureido)benzamide
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Ethyl 2-[5-benzoyl-3-(2-ethoxy-2-oxoethyl)-2-iminobenzimidazol-1-yl]acetate
CID 72197495
1,3-dimethyl-5-[(2-methylphenyl)carbonyl]-1,3-dihydro-2H-benzimidazol-2-one
CID 658473
3-(4-methylanilino)-2-(2-morpholin-4-ylethyl)-3H-isoindol-1-one
CID 9550457
1-[4-(Morpholine-4-carbonyl)phenyl]-3-phenylurea
CID 839616
1-[4-(Morpholin-4-ylcarbonyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 1296963
N-(1-benzylpiperidin-4-yl)-1-[(4-fluorophenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide
CID 3232131
1-(4-Fluorophenyl)-3-(4-(morpholine-4-carbonyl)phenyl)urea
CID 17298177

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(2-ethoxyethyl)-N-methyl-2-oxo-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-benzyl-1-(2-ethoxyethyl)-N-methyl-2-oxo-3H-benzimidazole-5-carboxamide (CID 70726920) is N-benzyl-1-(2-ethoxyethyl)-N-methyl-2-oxo-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-benzyl-1-(2-ethoxyethyl)-N-methyl-2-oxo-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-benzyl-1-(2-ethoxyethyl)-N-methyl-2-oxo-3H-benzimidazole-5-carboxamide is CCOCCn1c(=O)[nH]c2cc(C(=O)N(C)Cc3ccccc3)ccc21.
What is the InChIKey of N-benzyl-1-(2-ethoxyethyl)-N-methyl-2-oxo-3H-benzimidazole-5-carboxamide?
The InChIKey is XZZZCKSXTAJLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-3-26-12-11-23-18-10-9-16(13-17(18)21-20(23)25)19(24)22(2)14-15-7-5-4-6-8-15/h4-10,13H,3,11-12,14H2,1-2H3,(H,21,25).
What are the key properties of N-benzyl-1-(2-ethoxyethyl)-N-methyl-2-oxo-3H-benzimidazole-5-carboxamide?
N-benzyl-1-(2-ethoxyethyl)-N-methyl-2-oxo-3H-benzimidazole-5-carboxamide has a molecular weight of 353.42 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(2-ethoxyethyl)-N-methyl-2-oxo-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 70726920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).