2-[4-(6-chloro-1H-benzimidazol-2-yl)piperidin-1-yl]-N-(2-methoxyphenyl)acetamide

C21H23ClN4O2 — CID 43815822

IUPAC2-[4-(6-chloro-1H-benzimidazol-2-yl)piperidin-1-yl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CN1CCC(c2nc3ccc(Cl)cc3[nH]2)CC1
InChIInChI=1S/C21H23ClN4O2/c1-28-19-5-3-2-4-17(19)23-20(27)13-26-10-8-14(9-11-26)21-24-16-7-6-15(22)12-18(16)25-21/h2-7,12,14H,8-11,13H2,1H3,(H,23,27)(H,24,25)
InChIKeyZGGMLIYXJDISFJ-UHFFFAOYSA-N
MW398.89 g/mol
LogP4.04
Rot. Bonds5

About 2-[4-(6-chloro-1H-benzimidazol-2-yl)piperidin-1-yl]-N-(2-methoxyphenyl)acetamide

2-[4-(6-chloro-1H-benzimidazol-2-yl)piperidin-1-yl]-N-(2-methoxyphenyl)acetamide (PubChem CID 43815822) has the molecular formula C21H23ClN4O2 and a molecular weight of 398.89 g/mol. Its IUPAC name is 2-[4-(6-chloro-1H-benzimidazol-2-yl)piperidin-1-yl]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(6-chloro-1H-benzimidazol-2-yl)piperidin-1-yl]-N-(2-methoxyphenyl)acetamide
PubChem CID43815822
Molecular FormulaC21H23ClN4O2
Molecular Weight398.89 g/mol
Exact Mass398.15
IUPAC Name2-[4-(6-chloro-1H-benzimidazol-2-yl)piperidin-1-yl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CN1CCC(c2nc3ccc(Cl)cc3[nH]2)CC1
InChIInChI=1S/C21H23ClN4O2/c1-28-19-5-3-2-4-17(19)23-20(27)13-26-10-8-14(9-11-26)21-24-16-7-6-15(22)12-18(16)25-21/h2-7,12,14H,8-11,13H2,1H3,(H,23,27)(H,24,25)
InChIKeyZGGMLIYXJDISFJ-UHFFFAOYSA-N
XLogP4.04
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(6-chloro-1H-benzimidazol-2-yl)piperidin-1-yl]-N-(2,6-dimethoxyphenyl)acetamide
CID 1429729
N-(2-methoxyphenyl)-2-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]acetamide
CID 1453158
2-[4-(6-chloro-1H-benzimidazol-2-yl)piperidin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 1453163
2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(2-methoxy-4-nitrophenyl)acetamide
CID 3223449
N-(2,5-dimethoxyphenyl)-2-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]acetamide
CID 1453138
2-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-N-(2-phenylphenyl)acetamide
CID 1437000
4-(6-chloro-1H-benzimidazol-2-yl)-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 43815842
2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 1453375
4-(6-chloro-1H-benzimidazol-2-yl)-N-phenylpiperidine-1-carboxamide
CID 1429783
2-[4-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 29162746
4-(6-chloro-1H-benzimidazol-2-yl)-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 1429886
2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide
CID 1436952

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-chloro-1H-benzimidazol-2-yl)piperidin-1-yl]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[4-(6-chloro-1H-benzimidazol-2-yl)piperidin-1-yl]-N-(2-methoxyphenyl)acetamide (CID 43815822) is 2-[4-(6-chloro-1H-benzimidazol-2-yl)piperidin-1-yl]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-(6-chloro-1H-benzimidazol-2-yl)piperidin-1-yl]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[4-(6-chloro-1H-benzimidazol-2-yl)piperidin-1-yl]-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)CN1CCC(c2nc3ccc(Cl)cc3[nH]2)CC1.
What is the InChIKey of 2-[4-(6-chloro-1H-benzimidazol-2-yl)piperidin-1-yl]-N-(2-methoxyphenyl)acetamide?
The InChIKey is ZGGMLIYXJDISFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O2/c1-28-19-5-3-2-4-17(19)23-20(27)13-26-10-8-14(9-11-26)21-24-16-7-6-15(22)12-18(16)25-21/h2-7,12,14H,8-11,13H2,1H3,(H,23,27)(H,24,25).
What are the key properties of 2-[4-(6-chloro-1H-benzimidazol-2-yl)piperidin-1-yl]-N-(2-methoxyphenyl)acetamide?
2-[4-(6-chloro-1H-benzimidazol-2-yl)piperidin-1-yl]-N-(2-methoxyphenyl)acetamide has a molecular weight of 398.89 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-chloro-1H-benzimidazol-2-yl)piperidin-1-yl]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 43815822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).