1-[(4R)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-[(1R,2S)-2-methylcyclohexyl]thiourea

C19H26N4O3S — CID 8789006

IUPAC1-[(4R)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-[(1R,2S)-2-methylcyclohexyl]thiourea
SMILESCOc1cccc([C@@]2(C)NC(=O)N(NC(=S)N[C@@H]3CCCC[C@@H]3C)C2=O)c1
InChIInChI=1S/C19H26N4O3S/c1-12-7-4-5-10-15(12)20-17(27)22-23-16(24)19(2,21-18(23)25)13-8-6-9-14(11-13)26-3/h6,8-9,11-12,15H,4-5,7,10H2,1-3H3,(H,21,25)(H2,20,22,27)/t12-,15+,19+/m0/s1
InChIKeyQUHRYAAHULFFNS-IOHHAYIISA-N
MW390.51 g/mol
LogP2.42
Rot. Bonds4

About 1-[(4R)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-[(1R,2S)-2-methylcyclohexyl]thiourea

1-[(4R)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-[(1R,2S)-2-methylcyclohexyl]thiourea (PubChem CID 8789006) has the molecular formula C19H26N4O3S and a molecular weight of 390.51 g/mol. Its IUPAC name is 1-[(4R)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-[(1R,2S)-2-methylcyclohexyl]thiourea.

Molecular Properties

Compound Name1-[(4R)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-[(1R,2S)-2-methylcyclohexyl]thiourea
PubChem CID8789006
Molecular FormulaC19H26N4O3S
Molecular Weight390.51 g/mol
Exact Mass390.17
IUPAC Name1-[(4R)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-[(1R,2S)-2-methylcyclohexyl]thiourea
SMILESCOc1cccc([C@@]2(C)NC(=O)N(NC(=S)N[C@@H]3CCCC[C@@H]3C)C2=O)c1
InChIInChI=1S/C19H26N4O3S/c1-12-7-4-5-10-15(12)20-17(27)22-23-16(24)19(2,21-18(23)25)13-8-6-9-14(11-13)26-3/h6,8-9,11-12,15H,4-5,7,10H2,1-3H3,(H,21,25)(H2,20,22,27)/t12-,15+,19+/m0/s1
InChIKeyQUHRYAAHULFFNS-IOHHAYIISA-N
XLogP2.42
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-[(1R,2R)-2-methylcyclohexyl]thiourea
CID 8766829
1-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-3-[(1S,2S)-2-methylcyclohexyl]thiourea
CID 9283118
1-[(1S,2S)-2-methylcyclohexyl]-3-[(4R)-4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]thiourea
CID 8789071
1-[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 8788983
1-[(4R)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-propylthiourea
CID 8788971
1-[(4R)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-prop-2-enylthiourea
CID 8788892
1-(3,4-dimethylphenyl)-3-[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]thiourea
CID 8683821
1-(1,3-benzodioxol-5-ylmethyl)-3-[(4R)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]thiourea
CID 41013708
1-[(3-methoxyphenyl)methyl]-3-[(1S,2S)-2-methylcyclohexyl]thiourea
CID 9094238
N-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[4-(propan-2-ylamino)piperidin-1-yl]acetamide
CID 56570097
6-[[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-6-oxohexanoic acid
CID 167773553
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 41118340

Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-[(1R,2S)-2-methylcyclohexyl]thiourea?
The IUPAC name of 1-[(4R)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-[(1R,2S)-2-methylcyclohexyl]thiourea (CID 8789006) is 1-[(4R)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-[(1R,2S)-2-methylcyclohexyl]thiourea.
What is the SMILES notation for 1-[(4R)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-[(1R,2S)-2-methylcyclohexyl]thiourea?
The canonical SMILES for 1-[(4R)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-[(1R,2S)-2-methylcyclohexyl]thiourea is COc1cccc([C@@]2(C)NC(=O)N(NC(=S)N[C@@H]3CCCC[C@@H]3C)C2=O)c1.
What is the InChIKey of 1-[(4R)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-[(1R,2S)-2-methylcyclohexyl]thiourea?
The InChIKey is QUHRYAAHULFFNS-IOHHAYIISA-N. The full InChI is InChI=1S/C19H26N4O3S/c1-12-7-4-5-10-15(12)20-17(27)22-23-16(24)19(2,21-18(23)25)13-8-6-9-14(11-13)26-3/h6,8-9,11-12,15H,4-5,7,10H2,1-3H3,(H,21,25)(H2,20,22,27)/t12-,15+,19+/m0/s1.
What are the key properties of 1-[(4R)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-[(1R,2S)-2-methylcyclohexyl]thiourea?
1-[(4R)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-[(1R,2S)-2-methylcyclohexyl]thiourea has a molecular weight of 390.51 g/mol, XLogP of 2.42, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-[(1R,2S)-2-methylcyclohexyl]thiourea is sourced from PubChem (CID 8789006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).