N-(3-chloro-4-methylphenyl)-2-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]acetamide

C24H27ClN4O — CID 90494424

IUPACN-(3-chloro-4-methylphenyl)-2-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
SMILESCc1ccc(NC(=O)CN2CCC(Cn3ccnc3-c3ccccc3)CC2)cc1Cl
InChIInChI=1S/C24H27ClN4O/c1-18-7-8-21(15-22(18)25)27-23(30)17-28-12-9-19(10-13-28)16-29-14-11-26-24(29)20-5-3-2-4-6-20/h2-8,11,14-15,19H,9-10,12-13,16-17H2,1H3,(H,27,30)
InChIKeyKSIRHPJAFMDLKJ-UHFFFAOYSA-N
MW422.96 g/mol
LogP4.86
Rot. Bonds6

About N-(3-chloro-4-methylphenyl)-2-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]acetamide

N-(3-chloro-4-methylphenyl)-2-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]acetamide (PubChem CID 90494424) has the molecular formula C24H27ClN4O and a molecular weight of 422.96 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
PubChem CID90494424
Molecular FormulaC24H27ClN4O
Molecular Weight422.96 g/mol
Exact Mass422.19
IUPAC NameN-(3-chloro-4-methylphenyl)-2-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
SMILESCc1ccc(NC(=O)CN2CCC(Cn3ccnc3-c3ccccc3)CC2)cc1Cl
InChIInChI=1S/C24H27ClN4O/c1-18-7-8-21(15-22(18)25)27-23(30)17-28-12-9-19(10-13-28)16-29-14-11-26-24(29)20-5-3-2-4-6-20/h2-8,11,14-15,19H,9-10,12-13,16-17H2,1H3,(H,27,30)
InChIKeyKSIRHPJAFMDLKJ-UHFFFAOYSA-N
XLogP4.86
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.96
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90493968
N-(3-fluorophenyl)-2-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90494417
N-methyl-2-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90494467
N-(4-methyl-1,3-thiazol-2-yl)-2-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90494462
N-(4-acetamidophenyl)-2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90494672
1-(azepan-1-yl)-2-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 90494396
N-(3-chloro-4-methylphenyl)-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119923478
1-(5-chloro-2-methylphenyl)sulfonyl-4-[(2-phenylimidazol-1-yl)methyl]piperidine
CID 90494589
N-(3-methylphenyl)-2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90494174
N-(4-fluorophenyl)-2-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide
CID 90560761
1-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one
CID 90492944
2-(azepan-1-yl)-N-(3-chloro-4-methylphenyl)acetamide
CID 8895979

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]acetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]acetamide (CID 90494424) is N-(3-chloro-4-methylphenyl)-2-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]acetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]acetamide is Cc1ccc(NC(=O)CN2CCC(Cn3ccnc3-c3ccccc3)CC2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]acetamide?
The InChIKey is KSIRHPJAFMDLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O/c1-18-7-8-21(15-22(18)25)27-23(30)17-28-12-9-19(10-13-28)16-29-14-11-26-24(29)20-5-3-2-4-6-20/h2-8,11,14-15,19H,9-10,12-13,16-17H2,1H3,(H,27,30).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]acetamide?
N-(3-chloro-4-methylphenyl)-2-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]acetamide has a molecular weight of 422.96 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 90494424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).