2-(2,5-dimethylphenyl)-N-[(1S)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]acetamide

C19H21N3O2 — CID 95288291

IUPAC2-(2,5-dimethylphenyl)-N-[(1S)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]acetamide
SMILESCc1ccc(C)c(CC(=O)N[C@@H](C)c2ccc3[nH]c(=O)[nH]c3c2)c1
InChIInChI=1S/C19H21N3O2/c1-11-4-5-12(2)15(8-11)10-18(23)20-13(3)14-6-7-16-17(9-14)22-19(24)21-16/h4-9,13H,10H2,1-3H3,(H,20,23)(H2,21,22,24)/t13-/m0/s1
InChIKeyZMGIPUSOYAOKML-ZDUSSCGKSA-N
MW323.40 g/mol
LogP2.89
Rot. Bonds4

About 2-(2,5-dimethylphenyl)-N-[(1S)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]acetamide

2-(2,5-dimethylphenyl)-N-[(1S)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]acetamide (PubChem CID 95288291) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-N-[(1S)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-N-[(1S)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]acetamide
PubChem CID95288291
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name2-(2,5-dimethylphenyl)-N-[(1S)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]acetamide
SMILESCc1ccc(C)c(CC(=O)N[C@@H](C)c2ccc3[nH]c(=O)[nH]c3c2)c1
InChIInChI=1S/C19H21N3O2/c1-11-4-5-12(2)15(8-11)10-18(23)20-13(3)14-6-7-16-17(9-14)22-19(24)21-16/h4-9,13H,10H2,1-3H3,(H,20,23)(H2,21,22,24)/t13-/m0/s1
InChIKeyZMGIPUSOYAOKML-ZDUSSCGKSA-N
XLogP2.89
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-dimethylphenyl)-N-(1-phenylethyl)acetamide
CID 43905087
2-bromo-2-methyl-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]propanamide
CID 114327723
(2S)-2-[[2-(2,5-dimethylphenyl)acetyl]amino]propanoic acid
CID 62538173
2-(2,5-dimethylphenyl)-N-[1-(4-methylphenyl)propyl]acetamide
CID 43885999
(2R)-2-amino-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]pentanamide
CID 103794953
2-(2,5-dimethylphenyl)-N-pent-4-yn-2-ylacetamide
CID 115662051
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]acetamide
CID 55736076
2-(2,5-dimethylphenyl)-N-[(2R)-1-hydroxybutan-2-yl]acetamide
CID 103920089
5-[1-(propan-2-ylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43200626
(2Z,4E)-N-[(1S)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]hexa-2,4-dienamide
CID 94195434
tert-butyl N-[(2R)-1-oxo-1-[[(1S)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]amino]propan-2-yl]carbamate
CID 94509187
N-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 63047659

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-N-[(1S)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]acetamide?
The IUPAC name of 2-(2,5-dimethylphenyl)-N-[(1S)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]acetamide (CID 95288291) is 2-(2,5-dimethylphenyl)-N-[(1S)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-N-[(1S)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]acetamide?
The canonical SMILES for 2-(2,5-dimethylphenyl)-N-[(1S)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]acetamide is Cc1ccc(C)c(CC(=O)N[C@@H](C)c2ccc3[nH]c(=O)[nH]c3c2)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-N-[(1S)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]acetamide?
The InChIKey is ZMGIPUSOYAOKML-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-11-4-5-12(2)15(8-11)10-18(23)20-13(3)14-6-7-16-17(9-14)22-19(24)21-16/h4-9,13H,10H2,1-3H3,(H,20,23)(H2,21,22,24)/t13-/m0/s1.
What are the key properties of 2-(2,5-dimethylphenyl)-N-[(1S)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]acetamide?
2-(2,5-dimethylphenyl)-N-[(1S)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]acetamide has a molecular weight of 323.40 g/mol, XLogP of 2.89, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-N-[(1S)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]acetamide is sourced from PubChem (CID 95288291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).