N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide

C22H25ClN4O3 — CID 46631964

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CN1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C22H25ClN4O3/c1-14-11-18(20(30-2)12-16(14)23)24-21(28)13-26-9-7-15(8-10-26)27-19-6-4-3-5-17(19)25-22(27)29/h3-6,11-12,15H,7-10,13H2,1-2H3,(H,24,28)(H,25,29)
InChIKeySRJCODPXFKKFJU-UHFFFAOYSA-N
MW428.92 g/mol
LogP3.58
Rot. Bonds5

About N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide

N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide (PubChem CID 46631964) has the molecular formula C22H25ClN4O3 and a molecular weight of 428.92 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide
PubChem CID46631964
Molecular FormulaC22H25ClN4O3
Molecular Weight428.92 g/mol
Exact Mass428.16
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CN1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C22H25ClN4O3/c1-14-11-18(20(30-2)12-16(14)23)24-21(28)13-26-9-7-15(8-10-26)27-19-6-4-3-5-17(19)25-22(27)29/h3-6,11-12,15H,7-10,13H2,1-2H3,(H,24,28)(H,25,29)
InChIKeySRJCODPXFKKFJU-UHFFFAOYSA-N
XLogP3.58
TPSA79.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.92
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]piperazin-1-yl]-N-phenylacetamide
CID 31291782
N-(2-nitrophenyl)-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide
CID 23373391
2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 46672115
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 34942346
2-(4-acetylpiperazin-1-yl)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 2563712
(4-methylphenyl) 4-[[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetyl]amino]benzoate
CID 70288089
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide
CID 30776742
N-[(3,5-difluorophenyl)methyl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide
CID 60504483
2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]-N-[(2R)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 40881365
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 33073914
2-chloro-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide
CID 21428921
2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 2656218

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide (CID 46631964) is N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide is COc1cc(Cl)c(C)cc1NC(=O)CN1CCC(n2c(=O)[nH]c3ccccc32)CC1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide?
The InChIKey is SRJCODPXFKKFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O3/c1-14-11-18(20(30-2)12-16(14)23)24-21(28)13-26-9-7-15(8-10-26)27-19-6-4-3-5-17(19)25-22(27)29/h3-6,11-12,15H,7-10,13H2,1-2H3,(H,24,28)(H,25,29).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide has a molecular weight of 428.92 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 46631964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).