2-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-N-(2-phenylphenyl)acetamide

C27H28N4O — CID 1437000

IUPAC2-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-N-(2-phenylphenyl)acetamide
SMILESCc1ccc2nc(C3CCN(CC(=O)Nc4ccccc4-c4ccccc4)CC3)[nH]c2c1
InChIInChI=1S/C27H28N4O/c1-19-11-12-24-25(17-19)30-27(29-24)21-13-15-31(16-14-21)18-26(32)28-23-10-6-5-9-22(23)20-7-3-2-4-8-20/h2-12,17,21H,13-16,18H2,1H3,(H,28,32)(H,29,30)
InChIKeyYUOOKPSXQJTOKG-UHFFFAOYSA-N
MW424.55 g/mol
LogP5.36
Rot. Bonds5

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

2-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-N-(2-phenylphenyl)acetamide (PubChem CID 1437000) has the molecular formula C27H28N4O and a molecular weight of 424.55 g/mol. Its IUPAC name is 2-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-N-(2-phenylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-N-(2-phenylphenyl)acetamide
PubChem CID1437000
Molecular FormulaC27H28N4O
Molecular Weight424.55 g/mol
Exact Mass424.23
IUPAC Name2-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-N-(2-phenylphenyl)acetamide
SMILESCc1ccc2nc(C3CCN(CC(=O)Nc4ccccc4-c4ccccc4)CC3)[nH]c2c1
InChIInChI=1S/C27H28N4O/c1-19-11-12-24-25(17-19)30-27(29-24)21-13-15-31(16-14-21)18-26(32)28-23-10-6-5-9-22(23)20-7-3-2-4-8-20/h2-12,17,21H,13-16,18H2,1H3,(H,28,32)(H,29,30)
InChIKeyYUOOKPSXQJTOKG-UHFFFAOYSA-N
XLogP5.36
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.55
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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-(2-methoxyphenyl)acetamide
CID 43815822
2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-N-(2-phenylphenyl)acetamide
CID 55354087
2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide
CID 1436952
2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 1453375
1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-3,3-diphenylpropan-1-one
CID 108733646
N-(2,5-dimethoxyphenyl)-2-[4-(5,6-dimethyl-1H-benzimidazol-2-yl)piperidin-1-yl]acetamide
CID 1453138
2,2-dimethyl-1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 1430418
2-[4-(6-chloro-1H-benzimidazol-2-yl)piperidin-1-yl]-N-(2,6-dimethoxyphenyl)acetamide
CID 1429729
2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(2-methoxy-4-nitrophenyl)acetamide
CID 3223449
[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-piperidin-1-ylmethanone
CID 1452977
1-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]butan-1-one
CID 108733576

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-N-(2-phenylphenyl)acetamide?
The IUPAC name of 2-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-N-(2-phenylphenyl)acetamide (CID 1437000) is 2-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-N-(2-phenylphenyl)acetamide.
What is the SMILES notation for 2-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-N-(2-phenylphenyl)acetamide?
The canonical SMILES for 2-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-N-(2-phenylphenyl)acetamide is Cc1ccc2nc(C3CCN(CC(=O)Nc4ccccc4-c4ccccc4)CC3)[nH]c2c1.
What is the InChIKey of 2-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-N-(2-phenylphenyl)acetamide?
The InChIKey is YUOOKPSXQJTOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O/c1-19-11-12-24-25(17-19)30-27(29-24)21-13-15-31(16-14-21)18-26(32)28-23-10-6-5-9-22(23)20-7-3-2-4-8-20/h2-12,17,21H,13-16,18H2,1H3,(H,28,32)(H,29,30).
What are the key properties of 2-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-N-(2-phenylphenyl)acetamide?
2-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-N-(2-phenylphenyl)acetamide has a molecular weight of 424.55 g/mol, XLogP of 5.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-N-(2-phenylphenyl)acetamide is sourced from PubChem (CID 1437000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).