2-[4-[2-[1-[(4-methylphenyl)methyl]piperidin-2-yl]ethoxy]phenyl]-3H-benzimidazole-5-carboxamide

C29H32N4O2 — CID 11576384

IUPAC2-[4-[2-[1-[(4-methylphenyl)methyl]piperidin-2-yl]ethoxy]phenyl]-3H-benzimidazole-5-carboxamide
SMILESCc1ccc(CN2CCCCC2CCOc2ccc(-c3nc4ccc(C(N)=O)cc4[nH]3)cc2)cc1
InChIInChI=1S/C29H32N4O2/c1-20-5-7-21(8-6-20)19-33-16-3-2-4-24(33)15-17-35-25-12-9-22(10-13-25)29-31-26-14-11-23(28(30)34)18-27(26)32-29/h5-14,18,24H,2-4,15-17,19H2,1H3,(H2,30,34)(H,31,32)
InChIKeyRYABHZCNNGZUHA-UHFFFAOYSA-N
MW468.60 g/mol
LogP5.46
Rot. Bonds8

About 2-[4-[2-[1-[(4-methylphenyl)methyl]piperidin-2-yl]ethoxy]phenyl]-3H-benzimidazole-5-carboxamide

2-[4-[2-[1-[(4-methylphenyl)methyl]piperidin-2-yl]ethoxy]phenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 11576384) has the molecular formula C29H32N4O2 and a molecular weight of 468.60 g/mol. Its IUPAC name is 2-[4-[2-[1-[(4-methylphenyl)methyl]piperidin-2-yl]ethoxy]phenyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-[2-[1-[(4-methylphenyl)methyl]piperidin-2-yl]ethoxy]phenyl]-3H-benzimidazole-5-carboxamide
PubChem CID11576384
Molecular FormulaC29H32N4O2
Molecular Weight468.60 g/mol
Exact Mass468.25
IUPAC Name2-[4-[2-[1-[(4-methylphenyl)methyl]piperidin-2-yl]ethoxy]phenyl]-3H-benzimidazole-5-carboxamide
SMILESCc1ccc(CN2CCCCC2CCOc2ccc(-c3nc4ccc(C(N)=O)cc4[nH]3)cc2)cc1
InChIInChI=1S/C29H32N4O2/c1-20-5-7-21(8-6-20)19-33-16-3-2-4-24(33)15-17-35-25-12-9-22(10-13-25)29-31-26-14-11-23(28(30)34)18-27(26)32-29/h5-14,18,24H,2-4,15-17,19H2,1H3,(H2,30,34)(H,31,32)
InChIKeyRYABHZCNNGZUHA-UHFFFAOYSA-N
XLogP5.46
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.60
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[1-[(4-methylphenyl)methyl]piperidin-2-yl]ethoxy]phenyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-[4-[2-[1-[(4-methylphenyl)methyl]piperidin-2-yl]ethoxy]phenyl]-3H-benzimidazole-5-carboxamide (CID 11576384) is 2-[4-[2-[1-[(4-methylphenyl)methyl]piperidin-2-yl]ethoxy]phenyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[4-[2-[1-[(4-methylphenyl)methyl]piperidin-2-yl]ethoxy]phenyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-[4-[2-[1-[(4-methylphenyl)methyl]piperidin-2-yl]ethoxy]phenyl]-3H-benzimidazole-5-carboxamide is Cc1ccc(CN2CCCCC2CCOc2ccc(-c3nc4ccc(C(N)=O)cc4[nH]3)cc2)cc1.
What is the InChIKey of 2-[4-[2-[1-[(4-methylphenyl)methyl]piperidin-2-yl]ethoxy]phenyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is RYABHZCNNGZUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O2/c1-20-5-7-21(8-6-20)19-33-16-3-2-4-24(33)15-17-35-25-12-9-22(10-13-25)29-31-26-14-11-23(28(30)34)18-27(26)32-29/h5-14,18,24H,2-4,15-17,19H2,1H3,(H2,30,34)(H,31,32).
What are the key properties of 2-[4-[2-[1-[(4-methylphenyl)methyl]piperidin-2-yl]ethoxy]phenyl]-3H-benzimidazole-5-carboxamide?
2-[4-[2-[1-[(4-methylphenyl)methyl]piperidin-2-yl]ethoxy]phenyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 468.60 g/mol, XLogP of 5.46, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[1-[(4-methylphenyl)methyl]piperidin-2-yl]ethoxy]phenyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 11576384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).