1-[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-3-[[5-(oxan-4-yl)-2-pyridinyl]methyl]imidazolidin-2-one

C26H34N4O3 — CID 139513358

IUPAC1-[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-3-[[5-(oxan-4-yl)-2-pyridinyl]methyl]imidazolidin-2-one
SMILESO=C1N(Cc2ccc(C3CCOCC3)cn2)CCN1CC(O)CNC1Cc2ccccc2C1
InChIInChI=1S/C26H34N4O3/c31-25(16-28-24-13-20-3-1-2-4-21(20)14-24)18-30-10-9-29(26(30)32)17-23-6-5-22(15-27-23)19-7-11-33-12-8-19/h1-6,15,19,24-25,28,31H,7-14,16-18H2
InChIKeyMPQVUVPTIZXIMZ-UHFFFAOYSA-N
MW450.58 g/mol
LogP2.33
Rot. Bonds8

About 1-[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-3-[[5-(oxan-4-yl)-2-pyridinyl]methyl]imidazolidin-2-one

1-[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-3-[[5-(oxan-4-yl)-2-pyridinyl]methyl]imidazolidin-2-one (PubChem CID 139513358) has the molecular formula C26H34N4O3 and a molecular weight of 450.58 g/mol. Its IUPAC name is 1-[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-3-[[5-(oxan-4-yl)-2-pyridinyl]methyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-3-[[5-(oxan-4-yl)-2-pyridinyl]methyl]imidazolidin-2-one
PubChem CID139513358
Molecular FormulaC26H34N4O3
Molecular Weight450.58 g/mol
Exact Mass450.26
IUPAC Name1-[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-3-[[5-(oxan-4-yl)-2-pyridinyl]methyl]imidazolidin-2-one
SMILESO=C1N(Cc2ccc(C3CCOCC3)cn2)CCN1CC(O)CNC1Cc2ccccc2C1
InChIInChI=1S/C26H34N4O3/c31-25(16-28-24-13-20-3-1-2-4-21(20)14-24)18-30-10-9-29(26(30)32)17-23-6-5-22(15-27-23)19-7-11-33-12-8-19/h1-6,15,19,24-25,28,31H,7-14,16-18H2
InChIKeyMPQVUVPTIZXIMZ-UHFFFAOYSA-N
XLogP2.33
TPSA77.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.58
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-3-[[5-(oxan-4-yl)-2-pyridinyl]methyl]imidazolidin-2-one?
The IUPAC name of 1-[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-3-[[5-(oxan-4-yl)-2-pyridinyl]methyl]imidazolidin-2-one (CID 139513358) is 1-[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-3-[[5-(oxan-4-yl)-2-pyridinyl]methyl]imidazolidin-2-one.
What is the SMILES notation for 1-[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-3-[[5-(oxan-4-yl)-2-pyridinyl]methyl]imidazolidin-2-one?
The canonical SMILES for 1-[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-3-[[5-(oxan-4-yl)-2-pyridinyl]methyl]imidazolidin-2-one is O=C1N(Cc2ccc(C3CCOCC3)cn2)CCN1CC(O)CNC1Cc2ccccc2C1.
What is the InChIKey of 1-[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-3-[[5-(oxan-4-yl)-2-pyridinyl]methyl]imidazolidin-2-one?
The InChIKey is MPQVUVPTIZXIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O3/c31-25(16-28-24-13-20-3-1-2-4-21(20)14-24)18-30-10-9-29(26(30)32)17-23-6-5-22(15-27-23)19-7-11-33-12-8-19/h1-6,15,19,24-25,28,31H,7-14,16-18H2.
What are the key properties of 1-[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-3-[[5-(oxan-4-yl)-2-pyridinyl]methyl]imidazolidin-2-one?
1-[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-3-[[5-(oxan-4-yl)-2-pyridinyl]methyl]imidazolidin-2-one has a molecular weight of 450.58 g/mol, XLogP of 2.33, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,3-dihydro-1H-inden-2-ylamino)-2-hydroxypropyl]-3-[[5-(oxan-4-yl)-2-pyridinyl]methyl]imidazolidin-2-one is sourced from PubChem (CID 139513358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).