(4S)-N-[(1S)-5-methyl-2,3-dihydro-1H-inden-1-yl]-2-oxoimidazolidine-4-carboxamide

C14H17N3O2 — CID 97071656

IUPAC(4S)-N-[(1S)-5-methyl-2,3-dihydro-1H-inden-1-yl]-2-oxoimidazolidine-4-carboxamide
SMILESCc1ccc2c(c1)CC[C@@H]2NC(=O)[C@@H]1CNC(=O)N1
InChIInChI=1S/C14H17N3O2/c1-8-2-4-10-9(6-8)3-5-11(10)16-13(18)12-7-15-14(19)17-12/h2,4,6,11-12H,3,5,7H2,1H3,(H,16,18)(H2,15,17,19)/t11-,12-/m0/s1
InChIKeyLEYDATUYGXEDOU-RYUDHWBXSA-N
MW259.31 g/mol
LogP0.78
Rot. Bonds2

About (4S)-N-[(1S)-5-methyl-2,3-dihydro-1H-inden-1-yl]-2-oxoimidazolidine-4-carboxamide

(4S)-N-[(1S)-5-methyl-2,3-dihydro-1H-inden-1-yl]-2-oxoimidazolidine-4-carboxamide (PubChem CID 97071656) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is (4S)-N-[(1S)-5-methyl-2,3-dihydro-1H-inden-1-yl]-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[(1S)-5-methyl-2,3-dihydro-1H-inden-1-yl]-2-oxoimidazolidine-4-carboxamide
PubChem CID97071656
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name(4S)-N-[(1S)-5-methyl-2,3-dihydro-1H-inden-1-yl]-2-oxoimidazolidine-4-carboxamide
SMILESCc1ccc2c(c1)CC[C@@H]2NC(=O)[C@@H]1CNC(=O)N1
InChIInChI=1S/C14H17N3O2/c1-8-2-4-10-9(6-8)3-5-11(10)16-13(18)12-7-15-14(19)17-12/h2,4,6,11-12H,3,5,7H2,1H3,(H,16,18)(H2,15,17,19)/t11-,12-/m0/s1
InChIKeyLEYDATUYGXEDOU-RYUDHWBXSA-N
XLogP0.78
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(1S)-5-methyl-2,3-dihydro-1H-inden-1-yl]-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of (4S)-N-[(1S)-5-methyl-2,3-dihydro-1H-inden-1-yl]-2-oxoimidazolidine-4-carboxamide (CID 97071656) is (4S)-N-[(1S)-5-methyl-2,3-dihydro-1H-inden-1-yl]-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-[(1S)-5-methyl-2,3-dihydro-1H-inden-1-yl]-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-[(1S)-5-methyl-2,3-dihydro-1H-inden-1-yl]-2-oxoimidazolidine-4-carboxamide is Cc1ccc2c(c1)CC[C@@H]2NC(=O)[C@@H]1CNC(=O)N1.
What is the InChIKey of (4S)-N-[(1S)-5-methyl-2,3-dihydro-1H-inden-1-yl]-2-oxoimidazolidine-4-carboxamide?
The InChIKey is LEYDATUYGXEDOU-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-8-2-4-10-9(6-8)3-5-11(10)16-13(18)12-7-15-14(19)17-12/h2,4,6,11-12H,3,5,7H2,1H3,(H,16,18)(H2,15,17,19)/t11-,12-/m0/s1.
What are the key properties of (4S)-N-[(1S)-5-methyl-2,3-dihydro-1H-inden-1-yl]-2-oxoimidazolidine-4-carboxamide?
(4S)-N-[(1S)-5-methyl-2,3-dihydro-1H-inden-1-yl]-2-oxoimidazolidine-4-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 0.78, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[(1S)-5-methyl-2,3-dihydro-1H-inden-1-yl]-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 97071656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).