N-[(3-methylphenyl)methyl]-2-(2-oxo-3H-benzimidazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide

C22H25N3O3 — CID 97273224

IUPACN-[(3-methylphenyl)methyl]-2-(2-oxo-3H-benzimidazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESCc1cccc(CN(C[C@@H]2CCCO2)C(=O)Cn2c(=O)[nH]c3ccccc32)c1
InChIInChI=1S/C22H25N3O3/c1-16-6-4-7-17(12-16)13-24(14-18-8-5-11-28-18)21(26)15-25-20-10-3-2-9-19(20)23-22(25)27/h2-4,6-7,9-10,12,18H,5,8,11,13-15H2,1H3,(H,23,27)/t18-/m0/s1
InChIKeyHZJUNKRDTDQNBF-SFHVURJKSA-N
MW379.46 g/mol
LogP2.85
Rot. Bonds6

About N-[(3-methylphenyl)methyl]-2-(2-oxo-3H-benzimidazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide

N-[(3-methylphenyl)methyl]-2-(2-oxo-3H-benzimidazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide (PubChem CID 97273224) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-2-(2-oxo-3H-benzimidazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-2-(2-oxo-3H-benzimidazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
PubChem CID97273224
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-[(3-methylphenyl)methyl]-2-(2-oxo-3H-benzimidazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESCc1cccc(CN(C[C@@H]2CCCO2)C(=O)Cn2c(=O)[nH]c3ccccc32)c1
InChIInChI=1S/C22H25N3O3/c1-16-6-4-7-17(12-16)13-24(14-18-8-5-11-28-18)21(26)15-25-20-10-3-2-9-19(20)23-22(25)27/h2-4,6-7,9-10,12,18H,5,8,11,13-15H2,1H3,(H,23,27)/t18-/m0/s1
InChIKeyHZJUNKRDTDQNBF-SFHVURJKSA-N
XLogP2.85
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methylphenyl)methyl]-N-(oxolan-2-ylmethyl)-1H-pyrrole-3-carboxamide
CID 131930390
2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3-methylphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 124843014
5-methoxy-N-[(3-methylphenyl)methyl]-4-oxo-N-(oxolan-2-ylmethyl)-1H-pyridine-2-carboxamide
CID 74250697
N-[(2-methylphenyl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 131897549
N-[(3-fluorophenyl)methyl]-2-methylsulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 94348968
N-[(2-methylphenyl)methyl]-2-(3-oxo-1H-indazol-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 74248985
N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 109400298
N-benzyl-2-(1-oxoisoquinolin-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 72851148
N-ethyl-1-methyl-2-oxo-N-(oxolan-2-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 146087509
3-amino-N-benzyl-N-(oxolan-2-ylmethyl)propanamide;hydrochloride
CID 119302483
N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(oxolan-2-ylmethyl)propanamide
CID 3151688
3-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 1077957

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-2-(2-oxo-3H-benzimidazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of N-[(3-methylphenyl)methyl]-2-(2-oxo-3H-benzimidazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide (CID 97273224) is N-[(3-methylphenyl)methyl]-2-(2-oxo-3H-benzimidazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-2-(2-oxo-3H-benzimidazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for N-[(3-methylphenyl)methyl]-2-(2-oxo-3H-benzimidazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide is Cc1cccc(CN(C[C@@H]2CCCO2)C(=O)Cn2c(=O)[nH]c3ccccc32)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-2-(2-oxo-3H-benzimidazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The InChIKey is HZJUNKRDTDQNBF-SFHVURJKSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-16-6-4-7-17(12-16)13-24(14-18-8-5-11-28-18)21(26)15-25-20-10-3-2-9-19(20)23-22(25)27/h2-4,6-7,9-10,12,18H,5,8,11,13-15H2,1H3,(H,23,27)/t18-/m0/s1.
What are the key properties of N-[(3-methylphenyl)methyl]-2-(2-oxo-3H-benzimidazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
N-[(3-methylphenyl)methyl]-2-(2-oxo-3H-benzimidazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide has a molecular weight of 379.46 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-2-(2-oxo-3H-benzimidazol-1-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 97273224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).