N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(2-oxo-3H-benzimidazol-1-yl)acetamide

C16H21N3O3 — CID 109400298

IUPACN-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
SMILESCN(CC1CCCC1O)C(=O)Cn1c(=O)[nH]c2ccccc21
InChIInChI=1S/C16H21N3O3/c1-18(9-11-5-4-8-14(11)20)15(21)10-19-13-7-3-2-6-12(13)17-16(19)22/h2-3,6-7,11,14,20H,4-5,8-10H2,1H3,(H,17,22)
InChIKeyNGMJTQVWSLVEKT-UHFFFAOYSA-N
MW303.36 g/mol
LogP0.95
Rot. Bonds4

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

N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(2-oxo-3H-benzimidazol-1-yl)acetamide (PubChem CID 109400298) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(2-oxo-3H-benzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
PubChem CID109400298
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
SMILESCN(CC1CCCC1O)C(=O)Cn1c(=O)[nH]c2ccccc21
InChIInChI=1S/C16H21N3O3/c1-18(9-11-5-4-8-14(11)20)15(21)10-19-13-7-3-2-6-12(13)17-16(19)22/h2-3,6-7,11,14,20H,4-5,8-10H2,1H3,(H,17,22)
InChIKeyNGMJTQVWSLVEKT-UHFFFAOYSA-N
XLogP0.95
TPSA78.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2-Cyclohexyl-2-hydroxy-ethyl)-piperidin-4-yl]-1,3-dihydro-benzoimidazol-2-one
CID 44390999
1-[(3R,4R)-1-(cyclopentylmethyl)-3-(hydroxymethyl)piperidin-4-yl]-3-ethylbenzimidazol-2-one
CID 45268773
N-ethyl-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[[(3R)-oxolan-3-yl]methyl]acetamide
CID 94178668
1-[1-(2,4-Difluorophenyl)pyrrolidin-3-yl]-3-[(2-hydroxycyclopentyl)methyl]urea
CID 71868300
N-(4-fluorophenyl)-2-(2-hydroxycyclopentyl)pyrrolidine-1-carboxamide
CID 79539436
N-(2-fluorophenyl)-2-(2-hydroxycyclopentyl)pyrrolidine-1-carboxamide
CID 79539438
N-(3-fluorophenyl)-2-(2-hydroxycyclopentyl)pyrrolidine-1-carboxamide
CID 79539441
1-[(3S)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]-3-[[(1S,2S)-2-hydroxycyclopentyl]methyl]urea
CID 95934328
1-[(3R)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]-3-[[(1S,2S)-2-hydroxycyclopentyl]methyl]urea
CID 95934329
1-[(3R)-1-(2,4-difluorophenyl)pyrrolidin-3-yl]-3-[[(1S,2R)-2-hydroxycyclopentyl]methyl]urea
CID 100859902
3-(2-Fluorophenyl)-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109395391
3-(3-Fluoro-4-pyrrolidin-1-ylphenyl)-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109396989

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(2-oxo-3H-benzimidazol-1-yl)acetamide?
The IUPAC name of N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(2-oxo-3H-benzimidazol-1-yl)acetamide (CID 109400298) is N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(2-oxo-3H-benzimidazol-1-yl)acetamide.
What is the SMILES notation for N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(2-oxo-3H-benzimidazol-1-yl)acetamide?
The canonical SMILES for N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(2-oxo-3H-benzimidazol-1-yl)acetamide is CN(CC1CCCC1O)C(=O)Cn1c(=O)[nH]c2ccccc21.
What is the InChIKey of N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(2-oxo-3H-benzimidazol-1-yl)acetamide?
The InChIKey is NGMJTQVWSLVEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-18(9-11-5-4-8-14(11)20)15(21)10-19-13-7-3-2-6-12(13)17-16(19)22/h2-3,6-7,11,14,20H,4-5,8-10H2,1H3,(H,17,22).
What are the key properties of N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(2-oxo-3H-benzimidazol-1-yl)acetamide?
N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(2-oxo-3H-benzimidazol-1-yl)acetamide has a molecular weight of 303.36 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxycyclopentyl)methyl]-N-methyl-2-(2-oxo-3H-benzimidazol-1-yl)acetamide is sourced from PubChem (CID 109400298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).