tert-butyl formate;1-(1H-indol-5-yl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one

C22H26N4O3 — CID 174664190

IUPACtert-butyl formate;1-(1H-indol-5-yl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one
SMILESCC(C)(C)OC=O.Cc1ccncc1N1CCN(c2ccc3[nH]ccc3c2)C1=O
InChIInChI=1S/C17H16N4O.C5H10O2/c1-12-4-6-18-11-16(12)21-9-8-20(17(21)22)14-2-3-15-13(10-14)5-7-19-15;1-5(2,3)7-4-6/h2-7,10-11,19H,8-9H2,1H3;4H,1-3H3
InChIKeyPJCBKDAFHXMQAC-UHFFFAOYSA-N
MW394.48 g/mol
LogP4.28
Rot. Bonds3

About tert-butyl formate;1-(1H-indol-5-yl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one

tert-butyl formate;1-(1H-indol-5-yl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one (PubChem CID 174664190) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is tert-butyl formate;1-(1H-indol-5-yl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one.

Molecular Properties

Compound Nametert-butyl formate;1-(1H-indol-5-yl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one
PubChem CID174664190
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Nametert-butyl formate;1-(1H-indol-5-yl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one
SMILESCC(C)(C)OC=O.Cc1ccncc1N1CCN(c2ccc3[nH]ccc3c2)C1=O
InChIInChI=1S/C17H16N4O.C5H10O2/c1-12-4-6-18-11-16(12)21-9-8-20(17(21)22)14-2-3-15-13(10-14)5-7-19-15;1-5(2,3)7-4-6/h2-7,10-11,19H,8-9H2,1H3;4H,1-3H3
InChIKeyPJCBKDAFHXMQAC-UHFFFAOYSA-N
XLogP4.28
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl formate;1-(1H-indol-5-yl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one?
The IUPAC name of tert-butyl formate;1-(1H-indol-5-yl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one (CID 174664190) is tert-butyl formate;1-(1H-indol-5-yl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one.
What is the SMILES notation for tert-butyl formate;1-(1H-indol-5-yl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one?
The canonical SMILES for tert-butyl formate;1-(1H-indol-5-yl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one is CC(C)(C)OC=O.Cc1ccncc1N1CCN(c2ccc3[nH]ccc3c2)C1=O.
What is the InChIKey of tert-butyl formate;1-(1H-indol-5-yl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one?
The InChIKey is PJCBKDAFHXMQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O.C5H10O2/c1-12-4-6-18-11-16(12)21-9-8-20(17(21)22)14-2-3-15-13(10-14)5-7-19-15;1-5(2,3)7-4-6/h2-7,10-11,19H,8-9H2,1H3;4H,1-3H3.
What are the key properties of tert-butyl formate;1-(1H-indol-5-yl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one?
tert-butyl formate;1-(1H-indol-5-yl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one has a molecular weight of 394.48 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;1-(1H-indol-5-yl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one is sourced from PubChem (CID 174664190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).