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

C13H16N4O — CID 116983068

IUPAC4-(3H-benzimidazol-5-yl)-1-ethyl-3-methylimidazolidin-2-one
SMILESCCN1CC(c2ccc3nc[nH]c3c2)N(C)C1=O
InChIInChI=1S/C13H16N4O/c1-3-17-7-12(16(2)13(17)18)9-4-5-10-11(6-9)15-8-14-10/h4-6,8,12H,3,7H2,1-2H3,(H,14,15)
InChIKeyAOJVKQVHOFDZJU-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.99
Rot. Bonds2

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

4-(3H-benzimidazol-5-yl)-1-ethyl-3-methylimidazolidin-2-one (PubChem CID 116983068) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 4-(3H-benzimidazol-5-yl)-1-ethyl-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name4-(3H-benzimidazol-5-yl)-1-ethyl-3-methylimidazolidin-2-one
PubChem CID116983068
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name4-(3H-benzimidazol-5-yl)-1-ethyl-3-methylimidazolidin-2-one
SMILESCCN1CC(c2ccc3nc[nH]c3c2)N(C)C1=O
InChIInChI=1S/C13H16N4O/c1-3-17-7-12(16(2)13(17)18)9-4-5-10-11(6-9)15-8-14-10/h4-6,8,12H,3,7H2,1-2H3,(H,14,15)
InChIKeyAOJVKQVHOFDZJU-UHFFFAOYSA-N
XLogP1.99
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3H-benzimidazol-5-yl)-1-(2-hydroxyethyl)-3-methylimidazolidin-2-one
CID 116981956
1-ethyl-3-methyl-4-naphthalen-2-ylimidazolidin-2-one
CID 116983099
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
1-ethyl-3-methyl-4-(4-propan-2-ylphenyl)imidazolidin-2-one
CID 116983004
2-[4-(4-fluoro-3-methylphenyl)-3-methyl-2-oxoimidazolidin-1-yl]acetic acid
CID 116982014
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
(3S)-N-(3H-benzimidazol-5-ylmethyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 126431332
S-[1-(3H-benzimidazol-5-ylmethyl)-5-oxopyrrolidin-3-yl] ethanethioate
CID 168706151
4-(1,3-benzoxazol-6-yl)-1,3-dimethylimidazolidin-2-one
CID 116982944
6-[1-[(3-methylphenyl)methyl]piperidin-2-yl]-1H-benzimidazole
CID 151217647

Frequently Asked Questions

What is the IUPAC name of 4-(3H-benzimidazol-5-yl)-1-ethyl-3-methylimidazolidin-2-one?
The IUPAC name of 4-(3H-benzimidazol-5-yl)-1-ethyl-3-methylimidazolidin-2-one (CID 116983068) is 4-(3H-benzimidazol-5-yl)-1-ethyl-3-methylimidazolidin-2-one.
What is the SMILES notation for 4-(3H-benzimidazol-5-yl)-1-ethyl-3-methylimidazolidin-2-one?
The canonical SMILES for 4-(3H-benzimidazol-5-yl)-1-ethyl-3-methylimidazolidin-2-one is CCN1CC(c2ccc3nc[nH]c3c2)N(C)C1=O.
What is the InChIKey of 4-(3H-benzimidazol-5-yl)-1-ethyl-3-methylimidazolidin-2-one?
The InChIKey is AOJVKQVHOFDZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-3-17-7-12(16(2)13(17)18)9-4-5-10-11(6-9)15-8-14-10/h4-6,8,12H,3,7H2,1-2H3,(H,14,15).
What are the key properties of 4-(3H-benzimidazol-5-yl)-1-ethyl-3-methylimidazolidin-2-one?
4-(3H-benzimidazol-5-yl)-1-ethyl-3-methylimidazolidin-2-one has a molecular weight of 244.30 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3H-benzimidazol-5-yl)-1-ethyl-3-methylimidazolidin-2-one is sourced from PubChem (CID 116983068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).