1-(4-chlorophenyl)-3-[2-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxoethyl]urea

C20H25ClN6O3 — CID 68647118

IUPAC1-(4-chlorophenyl)-3-[2-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxoethyl]urea
SMILESCN1C=C2C(=O)N(C3CCN(C(=O)CNC(=O)Nc4ccc(Cl)cc4)CC3)CN2C1
InChIInChI=1S/C20H25ClN6O3/c1-24-11-17-19(29)27(13-26(17)12-24)16-6-8-25(9-7-16)18(28)10-22-20(30)23-15-4-2-14(21)3-5-15/h2-5,11,16H,6-10,12-13H2,1H3,(H2,22,23,30)
InChIKeyPESLBHUPEICDOA-UHFFFAOYSA-N
MW432.91 g/mol
LogP1.30
Rot. Bonds4

About 1-(4-chlorophenyl)-3-[2-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxoethyl]urea

1-(4-chlorophenyl)-3-[2-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxoethyl]urea (PubChem CID 68647118) has the molecular formula C20H25ClN6O3 and a molecular weight of 432.91 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[2-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxoethyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[2-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxoethyl]urea
PubChem CID68647118
Molecular FormulaC20H25ClN6O3
Molecular Weight432.91 g/mol
Exact Mass432.17
IUPAC Name1-(4-chlorophenyl)-3-[2-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxoethyl]urea
SMILESCN1C=C2C(=O)N(C3CCN(C(=O)CNC(=O)Nc4ccc(Cl)cc4)CC3)CN2C1
InChIInChI=1S/C20H25ClN6O3/c1-24-11-17-19(29)27(13-26(17)12-24)16-6-8-25(9-7-16)18(28)10-22-20(30)23-15-4-2-14(21)3-5-15/h2-5,11,16H,6-10,12-13H2,1H3,(H2,22,23,30)
InChIKeyPESLBHUPEICDOA-UHFFFAOYSA-N
XLogP1.30
TPSA88.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.91
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)-3-[3-methyl-1-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxobutan-2-yl]urea
CID 68647005
1-(4-chlorophenyl)-3-[2-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxo-1-thiophen-2-ylethyl]urea
CID 68647446
6-[1-[3-[2-(4-chlorophenyl)ethylsulfanyl]propanoyl]piperidin-4-yl]-2-methyl-3,5-dihydroimidazo[1,5-c]imidazol-7-one
CID 66853222
1-(4-chlorophenyl)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]urea
CID 110371137
[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopropan-2-yl]-ethylcarbamic acid
CID 66853000
4-chloro-N-methyl-N-[4-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoylamino]phenyl]benzamide
CID 60577820
[(2R)-3,3,5,5-tetramethyl-1-[3-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)pyrrolidin-1-yl]-1-oxohexan-2-yl]carbamic acid
CID 68647361
(2R)-1-[2-[(4-chlorophenyl)carbamoylamino]acetyl]-N-methylpyrrolidine-2-carboxamide
CID 95330581
1-(4-chlorophenyl)-3-[(2R)-3,3-dimethyl-1-[4-(4-methyl-2-oxopiperazin-1-yl)piperidin-1-yl]-1-oxobutan-2-yl]urea
CID 58857998
1-[4-(4-methylpiperidine-1-carbonyl)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
CID 60545834
1-(4-chlorophenyl)-3-(2-oxopropyl)urea
CID 64994340
1-(4-chlorophenyl)-3-(2-cyclopropyl-2-hydroxyethyl)urea
CID 63237292

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[2-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxoethyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[2-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxoethyl]urea (CID 68647118) is 1-(4-chlorophenyl)-3-[2-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxoethyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[2-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxoethyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[2-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxoethyl]urea is CN1C=C2C(=O)N(C3CCN(C(=O)CNC(=O)Nc4ccc(Cl)cc4)CC3)CN2C1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[2-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxoethyl]urea?
The InChIKey is PESLBHUPEICDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN6O3/c1-24-11-17-19(29)27(13-26(17)12-24)16-6-8-25(9-7-16)18(28)10-22-20(30)23-15-4-2-14(21)3-5-15/h2-5,11,16H,6-10,12-13H2,1H3,(H2,22,23,30).
What are the key properties of 1-(4-chlorophenyl)-3-[2-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxoethyl]urea?
1-(4-chlorophenyl)-3-[2-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxoethyl]urea has a molecular weight of 432.91 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[2-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxoethyl]urea is sourced from PubChem (CID 68647118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).