[1-[5-[1-(4-chlorophenyl)-5-methyl-4-[(Z)-2-(methylideneamino)ethenyl]imidazol-2-yl]-2-pyridinyl]piperidin-4-yl]urea

C24H26ClN7O — CID 129213720

IUPAC[1-[5-[1-(4-chlorophenyl)-5-methyl-4-[(Z)-2-(methylideneamino)ethenyl]imidazol-2-yl]-2-pyridinyl]piperidin-4-yl]urea
SMILESC=N/C=C\c1nc(-c2ccc(N3CCC(NC(N)=O)CC3)nc2)n(-c2ccc(Cl)cc2)c1C
InChIInChI=1S/C24H26ClN7O/c1-16-21(9-12-27-2)30-23(32(16)20-6-4-18(25)5-7-20)17-3-8-22(28-15-17)31-13-10-19(11-14-31)29-24(26)33/h3-9,12,15,19H,2,10-11,13-14H2,1H3,(H3,26,29,33)/b12-9-
InChIKeyHEXDAKPKSHFCBX-XFXZXTDPSA-N
MW463.97 g/mol
LogP4.20
Rot. Bonds6

About [1-[5-[1-(4-chlorophenyl)-5-methyl-4-[(Z)-2-(methylideneamino)ethenyl]imidazol-2-yl]-2-pyridinyl]piperidin-4-yl]urea

[1-[5-[1-(4-chlorophenyl)-5-methyl-4-[(Z)-2-(methylideneamino)ethenyl]imidazol-2-yl]-2-pyridinyl]piperidin-4-yl]urea (PubChem CID 129213720) has the molecular formula C24H26ClN7O and a molecular weight of 463.97 g/mol. Its IUPAC name is [1-[5-[1-(4-chlorophenyl)-5-methyl-4-[(Z)-2-(methylideneamino)ethenyl]imidazol-2-yl]-2-pyridinyl]piperidin-4-yl]urea.

Molecular Properties

Compound Name[1-[5-[1-(4-chlorophenyl)-5-methyl-4-[(Z)-2-(methylideneamino)ethenyl]imidazol-2-yl]-2-pyridinyl]piperidin-4-yl]urea
PubChem CID129213720
Molecular FormulaC24H26ClN7O
Molecular Weight463.97 g/mol
Exact Mass463.19
IUPAC Name[1-[5-[1-(4-chlorophenyl)-5-methyl-4-[(Z)-2-(methylideneamino)ethenyl]imidazol-2-yl]-2-pyridinyl]piperidin-4-yl]urea
SMILESC=N/C=C\c1nc(-c2ccc(N3CCC(NC(N)=O)CC3)nc2)n(-c2ccc(Cl)cc2)c1C
InChIInChI=1S/C24H26ClN7O/c1-16-21(9-12-27-2)30-23(32(16)20-6-4-18(25)5-7-20)17-3-8-22(28-15-17)31-13-10-19(11-14-31)29-24(26)33/h3-9,12,15,19H,2,10-11,13-14H2,1H3,(H3,26,29,33)/b12-9-
InChIKeyHEXDAKPKSHFCBX-XFXZXTDPSA-N
XLogP4.20
TPSA101.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.97
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-2-[1-(4-chloro-2-fluorophenyl)-5-methyl-2-(6-morpholin-4-yl-3-pyridinyl)imidazol-4-yl]ethenyl]methanimine
CID 129213711
5-[1-(4-chlorophenyl)-5-ethenyl-4-[(Z)-prop-1-enyl]imidazol-2-yl]-N-cyclopropylpyridine-2-carboxamide
CID 145325592
N-[(Z)-2-[1-(4-chloro-2-fluorophenyl)-5-methyl-2-(2-pyrrolidin-1-ylpyrimidin-5-yl)imidazol-4-yl]ethenyl]methanimine
CID 129213719
[1-(5-carbamoyl-2-pyridinyl)piperidin-4-yl]carbamic acid
CID 69360370
ethyl N-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]carbamate
CID 15124700
[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]urea
CID 71923731
2,5-dimethyl-N-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]pyrazole-3-carboxamide
CID 172899602
tert-butyl N-[(3S)-1-(5-chloro-2-pyridinyl)pyrrolidin-3-yl]carbamate
CID 133400783
[1-(4-fluorophenyl)piperidin-4-yl]urea
CID 68772038
1-(5-chloro-2-pyridinyl)piperidine-4-carboxylic acid
CID 16787048
4-chloro-N-[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]benzamide
CID 134801544
N-[1-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]azepan-4-yl]acetamide
CID 165176971

Frequently Asked Questions

What is the IUPAC name of [1-[5-[1-(4-chlorophenyl)-5-methyl-4-[(Z)-2-(methylideneamino)ethenyl]imidazol-2-yl]-2-pyridinyl]piperidin-4-yl]urea?
The IUPAC name of [1-[5-[1-(4-chlorophenyl)-5-methyl-4-[(Z)-2-(methylideneamino)ethenyl]imidazol-2-yl]-2-pyridinyl]piperidin-4-yl]urea (CID 129213720) is [1-[5-[1-(4-chlorophenyl)-5-methyl-4-[(Z)-2-(methylideneamino)ethenyl]imidazol-2-yl]-2-pyridinyl]piperidin-4-yl]urea.
What is the SMILES notation for [1-[5-[1-(4-chlorophenyl)-5-methyl-4-[(Z)-2-(methylideneamino)ethenyl]imidazol-2-yl]-2-pyridinyl]piperidin-4-yl]urea?
The canonical SMILES for [1-[5-[1-(4-chlorophenyl)-5-methyl-4-[(Z)-2-(methylideneamino)ethenyl]imidazol-2-yl]-2-pyridinyl]piperidin-4-yl]urea is C=N/C=C\c1nc(-c2ccc(N3CCC(NC(N)=O)CC3)nc2)n(-c2ccc(Cl)cc2)c1C.
What is the InChIKey of [1-[5-[1-(4-chlorophenyl)-5-methyl-4-[(Z)-2-(methylideneamino)ethenyl]imidazol-2-yl]-2-pyridinyl]piperidin-4-yl]urea?
The InChIKey is HEXDAKPKSHFCBX-XFXZXTDPSA-N. The full InChI is InChI=1S/C24H26ClN7O/c1-16-21(9-12-27-2)30-23(32(16)20-6-4-18(25)5-7-20)17-3-8-22(28-15-17)31-13-10-19(11-14-31)29-24(26)33/h3-9,12,15,19H,2,10-11,13-14H2,1H3,(H3,26,29,33)/b12-9-.
What are the key properties of [1-[5-[1-(4-chlorophenyl)-5-methyl-4-[(Z)-2-(methylideneamino)ethenyl]imidazol-2-yl]-2-pyridinyl]piperidin-4-yl]urea?
[1-[5-[1-(4-chlorophenyl)-5-methyl-4-[(Z)-2-(methylideneamino)ethenyl]imidazol-2-yl]-2-pyridinyl]piperidin-4-yl]urea has a molecular weight of 463.97 g/mol, XLogP of 4.20, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-[1-(4-chlorophenyl)-5-methyl-4-[(Z)-2-(methylideneamino)ethenyl]imidazol-2-yl]-2-pyridinyl]piperidin-4-yl]urea is sourced from PubChem (CID 129213720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).