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

C22H25ClN4O2 — CID 1453163

IUPAC2-[4-(6-chloro-1H-benzimidazol-2-yl)piperidin-1-yl]-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CN2CCC(c3nc4ccc(Cl)cc4[nH]3)CC2)cc1
InChIInChI=1S/C22H25ClN4O2/c1-2-29-18-6-4-17(5-7-18)24-21(28)14-27-11-9-15(10-12-27)22-25-19-8-3-16(23)13-20(19)26-22/h3-8,13,15H,2,9-12,14H2,1H3,(H,24,28)(H,25,26)
InChIKeyGKDHIPKPTICFGJ-UHFFFAOYSA-N
MW412.92 g/mol
LogP4.43
Rot. Bonds6

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

2-[4-(6-chloro-1H-benzimidazol-2-yl)piperidin-1-yl]-N-(4-ethoxyphenyl)acetamide (PubChem CID 1453163) has the molecular formula C22H25ClN4O2 and a molecular weight of 412.92 g/mol. Its IUPAC name is 2-[4-(6-chloro-1H-benzimidazol-2-yl)piperidin-1-yl]-N-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(6-chloro-1H-benzimidazol-2-yl)piperidin-1-yl]-N-(4-ethoxyphenyl)acetamide
PubChem CID1453163
Molecular FormulaC22H25ClN4O2
Molecular Weight412.92 g/mol
Exact Mass412.17
IUPAC Name2-[4-(6-chloro-1H-benzimidazol-2-yl)piperidin-1-yl]-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)CN2CCC(c3nc4ccc(Cl)cc4[nH]3)CC2)cc1
InChIInChI=1S/C22H25ClN4O2/c1-2-29-18-6-4-17(5-7-18)24-21(28)14-27-11-9-15(10-12-27)22-25-19-8-3-16(23)13-20(19)26-22/h3-8,13,15H,2,9-12,14H2,1H3,(H,24,28)(H,25,26)
InChIKeyGKDHIPKPTICFGJ-UHFFFAOYSA-N
XLogP4.43
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.92
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(6-chloro-1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 6986257
2-[4-(6-chloro-1H-benzimidazol-2-yl)piperidin-1-yl]-N-(2,6-dimethoxyphenyl)acetamide
CID 1429729
2-[4-(6-chloro-1H-benzimidazol-2-yl)piperidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 43815822
4-(6-chloro-1H-benzimidazol-2-yl)-N-(4-chlorophenyl)piperidine-1-carboxamide
CID 1429871
2-[4-[2-(4-ethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 20970562
N-(4-ethoxyphenyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 8544001
4-(6-chloro-1H-benzimidazol-2-yl)-N-phenylpiperidine-1-carboxamide
CID 1429783
2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 1436961
N-(2,5-dimethoxyphenyl)-2-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]acetamide
CID 1453138
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-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 1429947
2-(4-benzylpiperidin-1-yl)-N-(4-ethoxyphenyl)acetamide
CID 22198150

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-chloro-1H-benzimidazol-2-yl)piperidin-1-yl]-N-(4-ethoxyphenyl)acetamide?
The IUPAC name of 2-[4-(6-chloro-1H-benzimidazol-2-yl)piperidin-1-yl]-N-(4-ethoxyphenyl)acetamide (CID 1453163) is 2-[4-(6-chloro-1H-benzimidazol-2-yl)piperidin-1-yl]-N-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-(6-chloro-1H-benzimidazol-2-yl)piperidin-1-yl]-N-(4-ethoxyphenyl)acetamide?
The canonical SMILES for 2-[4-(6-chloro-1H-benzimidazol-2-yl)piperidin-1-yl]-N-(4-ethoxyphenyl)acetamide is CCOc1ccc(NC(=O)CN2CCC(c3nc4ccc(Cl)cc4[nH]3)CC2)cc1.
What is the InChIKey of 2-[4-(6-chloro-1H-benzimidazol-2-yl)piperidin-1-yl]-N-(4-ethoxyphenyl)acetamide?
The InChIKey is GKDHIPKPTICFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O2/c1-2-29-18-6-4-17(5-7-18)24-21(28)14-27-11-9-15(10-12-27)22-25-19-8-3-16(23)13-20(19)26-22/h3-8,13,15H,2,9-12,14H2,1H3,(H,24,28)(H,25,26).
What are the key properties of 2-[4-(6-chloro-1H-benzimidazol-2-yl)piperidin-1-yl]-N-(4-ethoxyphenyl)acetamide?
2-[4-(6-chloro-1H-benzimidazol-2-yl)piperidin-1-yl]-N-(4-ethoxyphenyl)acetamide has a molecular weight of 412.92 g/mol, XLogP of 4.43, 6 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-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 1453163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).