1-[3-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-3-[[3-(2-methylpropyl)imidazol-4-yl]methyl]urea

C19H26N6O2 — CID 91838916

IUPAC1-[3-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-3-[[3-(2-methylpropyl)imidazol-4-yl]methyl]urea
SMILESCC(C)Cn1cncc1CNC(=O)Nc1cccc(N2CCN(C)C2=O)c1
InChIInChI=1S/C19H26N6O2/c1-14(2)12-24-13-20-10-17(24)11-21-18(26)22-15-5-4-6-16(9-15)25-8-7-23(3)19(25)27/h4-6,9-10,13-14H,7-8,11-12H2,1-3H3,(H2,21,22,26)
InChIKeyVNHUSSUEFUGCEU-UHFFFAOYSA-N
MW370.46 g/mol
LogP2.73
Rot. Bonds6

About 1-[3-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-3-[[3-(2-methylpropyl)imidazol-4-yl]methyl]urea

1-[3-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-3-[[3-(2-methylpropyl)imidazol-4-yl]methyl]urea (PubChem CID 91838916) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 1-[3-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-3-[[3-(2-methylpropyl)imidazol-4-yl]methyl]urea.

Molecular Properties

Compound Name1-[3-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-3-[[3-(2-methylpropyl)imidazol-4-yl]methyl]urea
PubChem CID91838916
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC Name1-[3-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-3-[[3-(2-methylpropyl)imidazol-4-yl]methyl]urea
SMILESCC(C)Cn1cncc1CNC(=O)Nc1cccc(N2CCN(C)C2=O)c1
InChIInChI=1S/C19H26N6O2/c1-14(2)12-24-13-20-10-17(24)11-21-18(26)22-15-5-4-6-16(9-15)25-8-7-23(3)19(25)27/h4-6,9-10,13-14H,7-8,11-12H2,1-3H3,(H2,21,22,26)
InChIKeyVNHUSSUEFUGCEU-UHFFFAOYSA-N
XLogP2.73
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-[3-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]urea
CID 72878846
N-[5-[(3-ethylimidazol-4-yl)methylcarbamoylamino]-2-fluorophenyl]-2-methylpropanamide
CID 118782816
3-(6-amino-2-pyridinyl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]benzamide
CID 119070135
3-hydroxy-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyridine-4-carboxamide
CID 90649146
1-(3-methylbutyl)-3-(3-pyrrolidin-1-ylphenyl)urea
CID 52738068
1-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-(pyridin-3-ylmethyl)urea
CID 134056865
2-methyl-N-[2-[[3-(2-oxoimidazolidin-1-yl)phenyl]carbamoylamino]ethyl]propanamide
CID 47039442
3-(2,5-dimethyl-1H-imidazol-4-yl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]benzamide;formic acid
CID 154908951
(3S)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-3-(pyridine-2-carbonyl)piperidine-1-carboxamide
CID 125442586
1-[(3R)-1,1-dioxothiolan-3-yl]-1-ethyl-3-[3-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]urea
CID 125157042
1-[3-[[5-[(dimethylamino)methyl]-2-pyridinyl]amino]phenyl]-3-methylimidazolidin-2-one
CID 163311778
6-methyl-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]-2-oxo-4-pyridin-3-yl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 56702277

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-3-[[3-(2-methylpropyl)imidazol-4-yl]methyl]urea?
The IUPAC name of 1-[3-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-3-[[3-(2-methylpropyl)imidazol-4-yl]methyl]urea (CID 91838916) is 1-[3-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-3-[[3-(2-methylpropyl)imidazol-4-yl]methyl]urea.
What is the SMILES notation for 1-[3-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-3-[[3-(2-methylpropyl)imidazol-4-yl]methyl]urea?
The canonical SMILES for 1-[3-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-3-[[3-(2-methylpropyl)imidazol-4-yl]methyl]urea is CC(C)Cn1cncc1CNC(=O)Nc1cccc(N2CCN(C)C2=O)c1.
What is the InChIKey of 1-[3-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-3-[[3-(2-methylpropyl)imidazol-4-yl]methyl]urea?
The InChIKey is VNHUSSUEFUGCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-14(2)12-24-13-20-10-17(24)11-21-18(26)22-15-5-4-6-16(9-15)25-8-7-23(3)19(25)27/h4-6,9-10,13-14H,7-8,11-12H2,1-3H3,(H2,21,22,26).
What are the key properties of 1-[3-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-3-[[3-(2-methylpropyl)imidazol-4-yl]methyl]urea?
1-[3-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-3-[[3-(2-methylpropyl)imidazol-4-yl]methyl]urea has a molecular weight of 370.46 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]-3-[[3-(2-methylpropyl)imidazol-4-yl]methyl]urea is sourced from PubChem (CID 91838916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).