4-(3H-benzimidazol-5-yl)-1-(2-hydroxyethyl)-3-methylimidazolidin-2-one

C13H16N4O2 — CID 116981956

IUPAC4-(3H-benzimidazol-5-yl)-1-(2-hydroxyethyl)-3-methylimidazolidin-2-one
SMILESCN1C(=O)N(CCO)CC1c1ccc2nc[nH]c2c1
InChIInChI=1S/C13H16N4O2/c1-16-12(7-17(4-5-18)13(16)19)9-2-3-10-11(6-9)15-8-14-10/h2-3,6,8,12,18H,4-5,7H2,1H3,(H,14,15)
InChIKeyQGCVZDKKOQUSBK-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.96
Rot. Bonds3

About 4-(3H-benzimidazol-5-yl)-1-(2-hydroxyethyl)-3-methylimidazolidin-2-one

4-(3H-benzimidazol-5-yl)-1-(2-hydroxyethyl)-3-methylimidazolidin-2-one (PubChem CID 116981956) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 4-(3H-benzimidazol-5-yl)-1-(2-hydroxyethyl)-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name4-(3H-benzimidazol-5-yl)-1-(2-hydroxyethyl)-3-methylimidazolidin-2-one
PubChem CID116981956
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name4-(3H-benzimidazol-5-yl)-1-(2-hydroxyethyl)-3-methylimidazolidin-2-one
SMILESCN1C(=O)N(CCO)CC1c1ccc2nc[nH]c2c1
InChIInChI=1S/C13H16N4O2/c1-16-12(7-17(4-5-18)13(16)19)9-2-3-10-11(6-9)15-8-14-10/h2-3,6,8,12,18H,4-5,7H2,1H3,(H,14,15)
InChIKeyQGCVZDKKOQUSBK-UHFFFAOYSA-N
XLogP0.96
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3H-benzimidazol-5-yl)-1-ethyl-3-methylimidazolidin-2-one
CID 116983068
2-[4-(3H-benzimidazol-5-yl)-2-oxoimidazolidin-1-yl]acetic acid
CID 116979486
3-[4-(3H-benzimidazol-5-yl)-2-oxoimidazolidin-1-yl]propanenitrile
CID 116980277
methyl 4-(3H-benzimidazol-5-ylamino)-1-(2-hydroxyethyl)-5-oxo-2H-pyrrole-3-carboxylate
CID 168562430
3-[3-methyl-4-(3-methylphenyl)-2-oxoimidazolidin-1-yl]propanoic acid
CID 116982044
(3S)-N-(3H-benzimidazol-5-ylmethyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 126431332
2-[4-(3H-benzimidazol-5-yl)piperidin-1-yl]-N-methylethanamine
CID 58730699
5-(3H-benzimidazol-5-yl)-3,3-dimethylpiperazin-2-one
CID 82385685
N-[1-(2-hydroxyethyl)piperidin-4-yl]-3H-benzimidazole-5-carboxamide
CID 162475306
S-[1-(3H-benzimidazol-5-ylmethyl)-5-oxopyrrolidin-3-yl] ethanethioate
CID 168706151
4-(3-bromophenyl)-3-methyl-1-(2-sulfanylethyl)imidazolidin-2-one
CID 116982256
1-(3H-benzimidazol-5-yl)-4-hydroxy-6-methylpyridin-2-one
CID 54708010

Frequently Asked Questions

What is the IUPAC name of 4-(3H-benzimidazol-5-yl)-1-(2-hydroxyethyl)-3-methylimidazolidin-2-one?
The IUPAC name of 4-(3H-benzimidazol-5-yl)-1-(2-hydroxyethyl)-3-methylimidazolidin-2-one (CID 116981956) is 4-(3H-benzimidazol-5-yl)-1-(2-hydroxyethyl)-3-methylimidazolidin-2-one.
What is the SMILES notation for 4-(3H-benzimidazol-5-yl)-1-(2-hydroxyethyl)-3-methylimidazolidin-2-one?
The canonical SMILES for 4-(3H-benzimidazol-5-yl)-1-(2-hydroxyethyl)-3-methylimidazolidin-2-one is CN1C(=O)N(CCO)CC1c1ccc2nc[nH]c2c1.
What is the InChIKey of 4-(3H-benzimidazol-5-yl)-1-(2-hydroxyethyl)-3-methylimidazolidin-2-one?
The InChIKey is QGCVZDKKOQUSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-16-12(7-17(4-5-18)13(16)19)9-2-3-10-11(6-9)15-8-14-10/h2-3,6,8,12,18H,4-5,7H2,1H3,(H,14,15).
What are the key properties of 4-(3H-benzimidazol-5-yl)-1-(2-hydroxyethyl)-3-methylimidazolidin-2-one?
4-(3H-benzimidazol-5-yl)-1-(2-hydroxyethyl)-3-methylimidazolidin-2-one has a molecular weight of 260.30 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3H-benzimidazol-5-yl)-1-(2-hydroxyethyl)-3-methylimidazolidin-2-one is sourced from PubChem (CID 116981956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).