N-[(3R,4S)-4-cyclopropyl-1-methylpyrrolidin-3-yl]-4-(2,4-dioxoimidazolidin-1-yl)benzamide;hydrochloride

C18H23ClN4O3 — CID 154897880

IUPACN-[(3R,4S)-4-cyclopropyl-1-methylpyrrolidin-3-yl]-4-(2,4-dioxoimidazolidin-1-yl)benzamide;hydrochloride
SMILESCN1C[C@H](NC(=O)c2ccc(N3CC(=O)NC3=O)cc2)[C@@H](C2CC2)C1.Cl
InChIInChI=1S/C18H22N4O3.ClH/c1-21-8-14(11-2-3-11)15(9-21)19-17(24)12-4-6-13(7-5-12)22-10-16(23)20-18(22)25;/h4-7,11,14-15H,2-3,8-10H2,1H3,(H,19,24)(H,20,23,25);1H/t14-,15+;/m1./s1
InChIKeySSMACVNAJQBYAJ-LIOBNPLQSA-N
MW378.86 g/mol
LogP1.23
Rot. Bonds4

About N-[(3R,4S)-4-cyclopropyl-1-methylpyrrolidin-3-yl]-4-(2,4-dioxoimidazolidin-1-yl)benzamide;hydrochloride

N-[(3R,4S)-4-cyclopropyl-1-methylpyrrolidin-3-yl]-4-(2,4-dioxoimidazolidin-1-yl)benzamide;hydrochloride (PubChem CID 154897880) has the molecular formula C18H23ClN4O3 and a molecular weight of 378.86 g/mol. Its IUPAC name is N-[(3R,4S)-4-cyclopropyl-1-methylpyrrolidin-3-yl]-4-(2,4-dioxoimidazolidin-1-yl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-[(3R,4S)-4-cyclopropyl-1-methylpyrrolidin-3-yl]-4-(2,4-dioxoimidazolidin-1-yl)benzamide;hydrochloride
PubChem CID154897880
Molecular FormulaC18H23ClN4O3
Molecular Weight378.86 g/mol
Exact Mass378.15
IUPAC NameN-[(3R,4S)-4-cyclopropyl-1-methylpyrrolidin-3-yl]-4-(2,4-dioxoimidazolidin-1-yl)benzamide;hydrochloride
SMILESCN1C[C@H](NC(=O)c2ccc(N3CC(=O)NC3=O)cc2)[C@@H](C2CC2)C1.Cl
InChIInChI=1S/C18H22N4O3.ClH/c1-21-8-14(11-2-3-11)15(9-21)19-17(24)12-4-6-13(7-5-12)22-10-16(23)20-18(22)25;/h4-7,11,14-15H,2-3,8-10H2,1H3,(H,19,24)(H,20,23,25);1H/t14-,15+;/m1./s1
InChIKeySSMACVNAJQBYAJ-LIOBNPLQSA-N
XLogP1.23
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-cyclopropyl-1-methylpyrrolidin-3-yl]-4-(2,4-dioxoimidazolidin-1-yl)benzamide;hydrochloride?
The IUPAC name of N-[(3R,4S)-4-cyclopropyl-1-methylpyrrolidin-3-yl]-4-(2,4-dioxoimidazolidin-1-yl)benzamide;hydrochloride (CID 154897880) is N-[(3R,4S)-4-cyclopropyl-1-methylpyrrolidin-3-yl]-4-(2,4-dioxoimidazolidin-1-yl)benzamide;hydrochloride.
What is the SMILES notation for N-[(3R,4S)-4-cyclopropyl-1-methylpyrrolidin-3-yl]-4-(2,4-dioxoimidazolidin-1-yl)benzamide;hydrochloride?
The canonical SMILES for N-[(3R,4S)-4-cyclopropyl-1-methylpyrrolidin-3-yl]-4-(2,4-dioxoimidazolidin-1-yl)benzamide;hydrochloride is CN1C[C@H](NC(=O)c2ccc(N3CC(=O)NC3=O)cc2)[C@@H](C2CC2)C1.Cl.
What is the InChIKey of N-[(3R,4S)-4-cyclopropyl-1-methylpyrrolidin-3-yl]-4-(2,4-dioxoimidazolidin-1-yl)benzamide;hydrochloride?
The InChIKey is SSMACVNAJQBYAJ-LIOBNPLQSA-N. The full InChI is InChI=1S/C18H22N4O3.ClH/c1-21-8-14(11-2-3-11)15(9-21)19-17(24)12-4-6-13(7-5-12)22-10-16(23)20-18(22)25;/h4-7,11,14-15H,2-3,8-10H2,1H3,(H,19,24)(H,20,23,25);1H/t14-,15+;/m1./s1.
What are the key properties of N-[(3R,4S)-4-cyclopropyl-1-methylpyrrolidin-3-yl]-4-(2,4-dioxoimidazolidin-1-yl)benzamide;hydrochloride?
N-[(3R,4S)-4-cyclopropyl-1-methylpyrrolidin-3-yl]-4-(2,4-dioxoimidazolidin-1-yl)benzamide;hydrochloride has a molecular weight of 378.86 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-cyclopropyl-1-methylpyrrolidin-3-yl]-4-(2,4-dioxoimidazolidin-1-yl)benzamide;hydrochloride is sourced from PubChem (CID 154897880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).