N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]-3H-benzimidazole-5-carboxamide

C20H22N4O4 — CID 108541140

IUPACN-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]-3H-benzimidazole-5-carboxamide
SMILESCCOc1ccccc1OCC(=O)NCCNC(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C20H22N4O4/c1-2-27-17-5-3-4-6-18(17)28-12-19(25)21-9-10-22-20(26)14-7-8-15-16(11-14)24-13-23-15/h3-8,11,13H,2,9-10,12H2,1H3,(H,21,25)(H,22,26)(H,23,24)
InChIKeyAQQXZXAHANMAGA-UHFFFAOYSA-N
MW382.42 g/mol
LogP1.89
Rot. Bonds9

About N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]-3H-benzimidazole-5-carboxamide

N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]-3H-benzimidazole-5-carboxamide (PubChem CID 108541140) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]-3H-benzimidazole-5-carboxamide
PubChem CID108541140
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC NameN-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]-3H-benzimidazole-5-carboxamide
SMILESCCOc1ccccc1OCC(=O)NCCNC(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C20H22N4O4/c1-2-27-17-5-3-4-6-18(17)28-12-19(25)21-9-10-22-20(26)14-7-8-15-16(11-14)24-13-23-15/h3-8,11,13H,2,9-10,12H2,1H3,(H,21,25)(H,22,26)(H,23,24)
InChIKeyAQQXZXAHANMAGA-UHFFFAOYSA-N
XLogP1.89
TPSA105.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-oxopentanoylamino)ethyl]-3H-benzimidazole-5-carboxamide
CID 108542186
N-[2-[2-(2-propan-2-ylphenoxy)propanoylamino]ethyl]-3H-benzimidazole-5-carboxamide
CID 108541335
N-(2-acetamidoethyl)-3H-benzimidazole-5-carboxamide
CID 43397895
N-[(1S)-1-[2-[2-(methylamino)-2-oxoethoxy]phenyl]propyl]-3H-benzimidazole-5-carboxamide
CID 52506294
3-acetamido-N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]benzamide
CID 108541135
N-[2-(3,4,5-trimethoxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 146025489
N-[2-[[2-(2-methoxyphenoxy)acetyl]amino]ethyl]-3,4-dimethylbenzamide
CID 108542880
N-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 110795807
N-[2-[methyl(propan-2-yl)amino]ethyl]-3H-benzimidazole-5-carboxamide
CID 62635083
N-[3-(2-methoxyethoxy)propyl]-3H-benzimidazole-5-carboxamide
CID 60668649
N-(3H-benzimidazol-5-ylmethyl)-2-(2-fluorophenoxy)acetamide
CID 110785509
N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-3H-benzimidazole-5-carboxamide
CID 108540850

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]-3H-benzimidazole-5-carboxamide (CID 108541140) is N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]-3H-benzimidazole-5-carboxamide is CCOc1ccccc1OCC(=O)NCCNC(=O)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is AQQXZXAHANMAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-2-27-17-5-3-4-6-18(17)28-12-19(25)21-9-10-22-20(26)14-7-8-15-16(11-14)24-13-23-15/h3-8,11,13H,2,9-10,12H2,1H3,(H,21,25)(H,22,26)(H,23,24).
What are the key properties of N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]-3H-benzimidazole-5-carboxamide?
N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 1.89, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 108541140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).