N-(2-hydroxypropyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide

C12H15N3O3 — CID 110898816

IUPACN-(2-hydroxypropyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
SMILESCC(O)CNC(=O)Cn1c(=O)[nH]c2ccccc21
InChIInChI=1S/C12H15N3O3/c1-8(16)6-13-11(17)7-15-10-5-3-2-4-9(10)14-12(15)18/h2-5,8,16H,6-7H2,1H3,(H,13,17)(H,14,18)
InChIKeyDKUFJJRMLICURP-UHFFFAOYSA-N
MW249.27 g/mol
LogP-0.17
Rot. Bonds4

About N-(2-hydroxypropyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide

N-(2-hydroxypropyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide (PubChem CID 110898816) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is N-(2-hydroxypropyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxypropyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
PubChem CID110898816
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC NameN-(2-hydroxypropyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
SMILESCC(O)CNC(=O)Cn1c(=O)[nH]c2ccccc21
InChIInChI=1S/C12H15N3O3/c1-8(16)6-13-11(17)7-15-10-5-3-2-4-9(10)14-12(15)18/h2-5,8,16H,6-7H2,1H3,(H,13,17)(H,14,18)
InChIKeyDKUFJJRMLICURP-UHFFFAOYSA-N
XLogP-0.17
TPSA87.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 119527137
N-[2,6-di(propan-2-yl)phenyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 113195295
N-[(2-fluorophenyl)methyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 113195175
2-[[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]butanoic acid
CID 119223469
N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 112834288
2-[(4-ethoxyphenyl)methyl]-3-[[2-(2-oxo-3H-benzimidazol-1-yl)acetyl]amino]propanoic acid
CID 119232018
N-(4-methoxyphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 113195258
N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-2-phenylacetamide
CID 110400739
N-(4-hydroxycyclohexyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 110895299
N-[3-(aminomethyl)pentan-3-yl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide;hydrochloride
CID 119571777
2-(2-oxo-3H-benzimidazol-1-yl)-N-pyrrolidin-3-ylacetamide
CID 119453931
N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-3-phenylbutanamide
CID 110610902

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxypropyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide?
The IUPAC name of N-(2-hydroxypropyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide (CID 110898816) is N-(2-hydroxypropyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide.
What is the SMILES notation for N-(2-hydroxypropyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide?
The canonical SMILES for N-(2-hydroxypropyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide is CC(O)CNC(=O)Cn1c(=O)[nH]c2ccccc21.
What is the InChIKey of N-(2-hydroxypropyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide?
The InChIKey is DKUFJJRMLICURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-8(16)6-13-11(17)7-15-10-5-3-2-4-9(10)14-12(15)18/h2-5,8,16H,6-7H2,1H3,(H,13,17)(H,14,18).
What are the key properties of N-(2-hydroxypropyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide?
N-(2-hydroxypropyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide has a molecular weight of 249.27 g/mol, XLogP of -0.17, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxypropyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide is sourced from PubChem (CID 110898816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).