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

C22H25ClN4O3 — CID 1429729

IUPAC2-[4-(6-chloro-1H-benzimidazol-2-yl)piperidin-1-yl]-N-(2,6-dimethoxyphenyl)acetamide
SMILESCOc1cccc(OC)c1NC(=O)CN1CCC(c2nc3ccc(Cl)cc3[nH]2)CC1
InChIInChI=1S/C22H25ClN4O3/c1-29-18-4-3-5-19(30-2)21(18)26-20(28)13-27-10-8-14(9-11-27)22-24-16-7-6-15(23)12-17(16)25-22/h3-7,12,14H,8-11,13H2,1-2H3,(H,24,25)(H,26,28)
InChIKeyKIFUJLYRJFEHPQ-UHFFFAOYSA-N
MW428.92 g/mol
LogP4.05
Rot. Bonds6

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

2-[4-(6-chloro-1H-benzimidazol-2-yl)piperidin-1-yl]-N-(2,6-dimethoxyphenyl)acetamide (PubChem CID 1429729) has the molecular formula C22H25ClN4O3 and a molecular weight of 428.92 g/mol. Its IUPAC name is 2-[4-(6-chloro-1H-benzimidazol-2-yl)piperidin-1-yl]-N-(2,6-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(6-chloro-1H-benzimidazol-2-yl)piperidin-1-yl]-N-(2,6-dimethoxyphenyl)acetamide
PubChem CID1429729
Molecular FormulaC22H25ClN4O3
Molecular Weight428.92 g/mol
Exact Mass428.16
IUPAC Name2-[4-(6-chloro-1H-benzimidazol-2-yl)piperidin-1-yl]-N-(2,6-dimethoxyphenyl)acetamide
SMILESCOc1cccc(OC)c1NC(=O)CN1CCC(c2nc3ccc(Cl)cc3[nH]2)CC1
InChIInChI=1S/C22H25ClN4O3/c1-29-18-4-3-5-19(30-2)21(18)26-20(28)13-27-10-8-14(9-11-27)22-24-16-7-6-15(23)12-17(16)25-22/h3-7,12,14H,8-11,13H2,1-2H3,(H,24,25)(H,26,28)
InChIKeyKIFUJLYRJFEHPQ-UHFFFAOYSA-N
XLogP4.05
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.92
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-chloro-1H-benzimidazol-2-yl)piperidin-1-yl]-N-(2,6-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[4-(6-chloro-1H-benzimidazol-2-yl)piperidin-1-yl]-N-(2,6-dimethoxyphenyl)acetamide (CID 1429729) is 2-[4-(6-chloro-1H-benzimidazol-2-yl)piperidin-1-yl]-N-(2,6-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-(6-chloro-1H-benzimidazol-2-yl)piperidin-1-yl]-N-(2,6-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[4-(6-chloro-1H-benzimidazol-2-yl)piperidin-1-yl]-N-(2,6-dimethoxyphenyl)acetamide is COc1cccc(OC)c1NC(=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-(2,6-dimethoxyphenyl)acetamide?
The InChIKey is KIFUJLYRJFEHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O3/c1-29-18-4-3-5-19(30-2)21(18)26-20(28)13-27-10-8-14(9-11-27)22-24-16-7-6-15(23)12-17(16)25-22/h3-7,12,14H,8-11,13H2,1-2H3,(H,24,25)(H,26,28).
What are the key properties of 2-[4-(6-chloro-1H-benzimidazol-2-yl)piperidin-1-yl]-N-(2,6-dimethoxyphenyl)acetamide?
2-[4-(6-chloro-1H-benzimidazol-2-yl)piperidin-1-yl]-N-(2,6-dimethoxyphenyl)acetamide has a molecular weight of 428.92 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-chloro-1H-benzimidazol-2-yl)piperidin-1-yl]-N-(2,6-dimethoxyphenyl)acetamide is sourced from PubChem (CID 1429729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).