1-(3H-benzimidazol-5-yl)-5-tert-butylimidazolidin-2-one

C14H18N4O — CID 51030777

IUPAC1-(3H-benzimidazol-5-yl)-5-tert-butylimidazolidin-2-one
SMILESCC(C)(C)C1CNC(=O)N1c1ccc2nc[nH]c2c1
InChIInChI=1S/C14H18N4O/c1-14(2,3)12-7-15-13(19)18(12)9-4-5-10-11(6-9)17-8-16-10/h4-6,8,12H,7H2,1-3H3,(H,15,19)(H,16,17)
InChIKeySQBNRGDHDOCEIT-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.51
Rot. Bonds1

About 1-(3H-benzimidazol-5-yl)-5-tert-butylimidazolidin-2-one

1-(3H-benzimidazol-5-yl)-5-tert-butylimidazolidin-2-one (PubChem CID 51030777) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-(3H-benzimidazol-5-yl)-5-tert-butylimidazolidin-2-one.

Molecular Properties

Compound Name1-(3H-benzimidazol-5-yl)-5-tert-butylimidazolidin-2-one
PubChem CID51030777
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name1-(3H-benzimidazol-5-yl)-5-tert-butylimidazolidin-2-one
SMILESCC(C)(C)C1CNC(=O)N1c1ccc2nc[nH]c2c1
InChIInChI=1S/C14H18N4O/c1-14(2,3)12-7-15-13(19)18(12)9-4-5-10-11(6-9)17-8-16-10/h4-6,8,12H,7H2,1-3H3,(H,15,19)(H,16,17)
InChIKeySQBNRGDHDOCEIT-UHFFFAOYSA-N
XLogP2.51
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3H-benzimidazol-5-yl)-5-(3-phenylphenyl)imidazolidin-2-one
CID 58229098
1-(3H-benzimidazol-5-yl)-5-[4-[5-(trifluoromethyl)-1H-pyrrol-3-yl]phenyl]imidazolidin-2-one
CID 146439010
(4R)-1-(3H-benzimidazol-5-yl)-4-phenylazetidin-2-one
CID 138503619
1-(3H-benzimidazol-5-yl)-5-[4-(5-chlorothiophen-2-yl)-3-fluorophenyl]imidazolidin-2-one
CID 146422669
3-(3H-benzimidazol-5-yl)-4-(4-chlorophenyl)-1,3-oxazolidin-2-one
CID 67036274
1-(3H-benzimidazol-5-yl)diazinan-3-one
CID 154416908
1-(3H-benzimidazol-5-yl)-4-sulfanylpyrrolidin-2-one
CID 168709953
4-acetyl-1-(3H-benzimidazol-5-yl)-5-(1H-pyrazol-5-yl)pyrrolidine-2,3-dione
CID 123919281
1-(3H-benzimidazol-5-yl)-5-[2,3-difluoro-4-[5-(methoxymethyl)-2,3-dihydrothiophen-3-yl]phenyl]imidazolidin-2-one
CID 165108458
3-(3H-benzimidazol-5-yl)-4-[4-(4-hydroxycyclohexyl)phenyl]-1,3-oxazolidin-2-one
CID 58229114
3-(3H-benzimidazol-5-yl)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
CID 67036550
(4S)-3-(3H-benzimidazol-5-yl)-5,5-dimethyl-4-phenyl-1,3-oxazolidin-2-one
CID 51029940

Frequently Asked Questions

What is the IUPAC name of 1-(3H-benzimidazol-5-yl)-5-tert-butylimidazolidin-2-one?
The IUPAC name of 1-(3H-benzimidazol-5-yl)-5-tert-butylimidazolidin-2-one (CID 51030777) is 1-(3H-benzimidazol-5-yl)-5-tert-butylimidazolidin-2-one.
What is the SMILES notation for 1-(3H-benzimidazol-5-yl)-5-tert-butylimidazolidin-2-one?
The canonical SMILES for 1-(3H-benzimidazol-5-yl)-5-tert-butylimidazolidin-2-one is CC(C)(C)C1CNC(=O)N1c1ccc2nc[nH]c2c1.
What is the InChIKey of 1-(3H-benzimidazol-5-yl)-5-tert-butylimidazolidin-2-one?
The InChIKey is SQBNRGDHDOCEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-14(2,3)12-7-15-13(19)18(12)9-4-5-10-11(6-9)17-8-16-10/h4-6,8,12H,7H2,1-3H3,(H,15,19)(H,16,17).
What are the key properties of 1-(3H-benzimidazol-5-yl)-5-tert-butylimidazolidin-2-one?
1-(3H-benzimidazol-5-yl)-5-tert-butylimidazolidin-2-one has a molecular weight of 258.32 g/mol, XLogP of 2.51, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3H-benzimidazol-5-yl)-5-tert-butylimidazolidin-2-one is sourced from PubChem (CID 51030777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).