N-[(4-ethoxyphenyl)-phenylmethyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide

C24H23N3O3 — CID 112841596

IUPACN-[(4-ethoxyphenyl)-phenylmethyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
SMILESCCOc1ccc(C(NC(=O)Cn2c(=O)[nH]c3ccccc32)c2ccccc2)cc1
InChIInChI=1S/C24H23N3O3/c1-2-30-19-14-12-18(13-15-19)23(17-8-4-3-5-9-17)26-22(28)16-27-21-11-7-6-10-20(21)25-24(27)29/h3-15,23H,2,16H2,1H3,(H,25,29)(H,26,28)
InChIKeyGHUQBYFZUXWIQL-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.63
Rot. Bonds7

About N-[(4-ethoxyphenyl)-phenylmethyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide

N-[(4-ethoxyphenyl)-phenylmethyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide (PubChem CID 112841596) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)-phenylmethyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)-phenylmethyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
PubChem CID112841596
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC NameN-[(4-ethoxyphenyl)-phenylmethyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
SMILESCCOc1ccc(C(NC(=O)Cn2c(=O)[nH]c3ccccc32)c2ccccc2)cc1
InChIInChI=1S/C24H23N3O3/c1-2-30-19-14-12-18(13-15-19)23(17-8-4-3-5-9-17)26-22(28)16-27-21-11-7-6-10-20(21)25-24(27)29/h3-15,23H,2,16H2,1H3,(H,25,29)(H,26,28)
InChIKeyGHUQBYFZUXWIQL-UHFFFAOYSA-N
XLogP3.63
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethoxyphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 113195260
2-[(4-ethoxyphenyl)methyl]-3-[[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]propanoic acid
CID 119232018
2-[[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]butanoic acid
CID 119223469
N-benzhydryl-2-(4-ethoxyphenyl)acetamide
CID 26735218
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 112830119
N-benzhydryl-2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 121050431
N-[2,6-di(propan-2-yl)phenyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 113195295
N-(4-methoxyphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 113195258
N-[1-(4-ethoxyphenyl)ethyl]-2-(9-oxoacridin-10-yl)acetamide
CID 16622504
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 112834288
3-[3-(4-ethoxyphenyl)sulfanylpropyl]-1H-benzimidazol-2-one
CID 26990271
N-[3-[[(4-ethoxyphenyl)-phenylmethyl]amino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 55675013

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)-phenylmethyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide?
The IUPAC name of N-[(4-ethoxyphenyl)-phenylmethyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide (CID 112841596) is N-[(4-ethoxyphenyl)-phenylmethyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide.
What is the SMILES notation for N-[(4-ethoxyphenyl)-phenylmethyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide?
The canonical SMILES for N-[(4-ethoxyphenyl)-phenylmethyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide is CCOc1ccc(C(NC(=O)Cn2c(=O)[nH]c3ccccc32)c2ccccc2)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)-phenylmethyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide?
The InChIKey is GHUQBYFZUXWIQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-2-30-19-14-12-18(13-15-19)23(17-8-4-3-5-9-17)26-22(28)16-27-21-11-7-6-10-20(21)25-24(27)29/h3-15,23H,2,16H2,1H3,(H,25,29)(H,26,28).
What are the key properties of N-[(4-ethoxyphenyl)-phenylmethyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide?
N-[(4-ethoxyphenyl)-phenylmethyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide has a molecular weight of 401.47 g/mol, XLogP of 3.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)-phenylmethyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide is sourced from PubChem (CID 112841596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).