N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-2-(oxolan-3-yl)acetamide

C16H21N3O2 — CID 122572647

IUPACN-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-2-(oxolan-3-yl)acetamide
SMILESCc1ccc2[nH]c(CNC(=O)CC3CCOC3)nc2c1C
InChIInChI=1S/C16H21N3O2/c1-10-3-4-13-16(11(10)2)19-14(18-13)8-17-15(20)7-12-5-6-21-9-12/h3-4,12H,5-9H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyWYOZWHDIMZQUQE-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.22
Rot. Bonds4

About N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-2-(oxolan-3-yl)acetamide

N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-2-(oxolan-3-yl)acetamide (PubChem CID 122572647) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-2-(oxolan-3-yl)acetamide.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-2-(oxolan-3-yl)acetamide
PubChem CID122572647
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-2-(oxolan-3-yl)acetamide
SMILESCc1ccc2[nH]c(CNC(=O)CC3CCOC3)nc2c1C
InChIInChI=1S/C16H21N3O2/c1-10-3-4-13-16(11(10)2)19-14(18-13)8-17-15(20)7-12-5-6-21-9-12/h3-4,12H,5-9H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyWYOZWHDIMZQUQE-UHFFFAOYSA-N
XLogP2.22
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-2-[(3R)-oxan-3-yl]acetamide
CID 125177499
(4S)-N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-2,7-dioxo-1,3-diazepane-4-carboxamide
CID 125176987
1-(4,5-dimethyl-1H-benzimidazol-2-yl)-N-methylmethanamine
CID 84618784
2-[(1S)-cyclohex-3-en-1-yl]-N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]acetamide
CID 166280150
N,N-dimethyl-4-[[[2-(oxolan-3-yl)acetyl]amino]methyl]benzamide
CID 122566630
N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-[(3S)-oxolan-3-yl]acetamide
CID 126429340
2-(oxolan-3-yl)-N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]acetamide
CID 131925877
2-methyl-5-[[[2-[(3S)-oxolan-3-yl]acetyl]amino]methyl]furan-3-carboxylic acid
CID 125152458
N-[[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(oxolan-3-yl)acetamide
CID 122559597
2-[(3R)-oxolan-3-yl]-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 126446607
1-(2,3-dimethylphenyl)-2-(oxolan-3-yl)ethanone
CID 103986180
N-[2-(4,5-dimethyl-1H-benzimidazol-2-yl)ethyl]-2-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide
CID 91789595

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-2-(oxolan-3-yl)acetamide?
The IUPAC name of N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-2-(oxolan-3-yl)acetamide (CID 122572647) is N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-2-(oxolan-3-yl)acetamide.
What is the SMILES notation for N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-2-(oxolan-3-yl)acetamide?
The canonical SMILES for N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-2-(oxolan-3-yl)acetamide is Cc1ccc2[nH]c(CNC(=O)CC3CCOC3)nc2c1C.
What is the InChIKey of N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-2-(oxolan-3-yl)acetamide?
The InChIKey is WYOZWHDIMZQUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-10-3-4-13-16(11(10)2)19-14(18-13)8-17-15(20)7-12-5-6-21-9-12/h3-4,12H,5-9H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-2-(oxolan-3-yl)acetamide?
N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-2-(oxolan-3-yl)acetamide has a molecular weight of 287.36 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-2-(oxolan-3-yl)acetamide is sourced from PubChem (CID 122572647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).