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

C28H30N4O3 — CID 11576419

IUPAC2-[4-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methoxy]phenyl]-3H-benzimidazole-5-carboxamide
SMILESCOc1ccc(CN2CCC(COc3ccc(-c4nc5ccc(C(N)=O)cc5[nH]4)cc3)CC2)cc1
InChIInChI=1S/C28H30N4O3/c1-34-23-7-2-19(3-8-23)17-32-14-12-20(13-15-32)18-35-24-9-4-21(5-10-24)28-30-25-11-6-22(27(29)33)16-26(25)31-28/h2-11,16,20H,12-15,17-18H2,1H3,(H2,29,33)(H,30,31)
InChIKeyIWWPTDKOLHLMQX-UHFFFAOYSA-N
MW470.57 g/mol
LogP4.63
Rot. Bonds8

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

2-[4-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methoxy]phenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 11576419) has the molecular formula C28H30N4O3 and a molecular weight of 470.57 g/mol. Its IUPAC name is 2-[4-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methoxy]phenyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methoxy]phenyl]-3H-benzimidazole-5-carboxamide
PubChem CID11576419
Molecular FormulaC28H30N4O3
Molecular Weight470.57 g/mol
Exact Mass470.23
IUPAC Name2-[4-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methoxy]phenyl]-3H-benzimidazole-5-carboxamide
SMILESCOc1ccc(CN2CCC(COc3ccc(-c4nc5ccc(C(N)=O)cc5[nH]4)cc3)CC2)cc1
InChIInChI=1S/C28H30N4O3/c1-34-23-7-2-19(3-8-23)17-32-14-12-20(13-15-32)18-35-24-9-4-21(5-10-24)28-30-25-11-6-22(27(29)33)16-26(25)31-28/h2-11,16,20H,12-15,17-18H2,1H3,(H2,29,33)(H,30,31)
InChIKeyIWWPTDKOLHLMQX-UHFFFAOYSA-N
XLogP4.63
TPSA93.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methoxy]phenyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-[4-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methoxy]phenyl]-3H-benzimidazole-5-carboxamide (CID 11576419) is 2-[4-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methoxy]phenyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[4-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methoxy]phenyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-[4-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methoxy]phenyl]-3H-benzimidazole-5-carboxamide is COc1ccc(CN2CCC(COc3ccc(-c4nc5ccc(C(N)=O)cc5[nH]4)cc3)CC2)cc1.
What is the InChIKey of 2-[4-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methoxy]phenyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is IWWPTDKOLHLMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O3/c1-34-23-7-2-19(3-8-23)17-32-14-12-20(13-15-32)18-35-24-9-4-21(5-10-24)28-30-25-11-6-22(27(29)33)16-26(25)31-28/h2-11,16,20H,12-15,17-18H2,1H3,(H2,29,33)(H,30,31).
What are the key properties of 2-[4-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methoxy]phenyl]-3H-benzimidazole-5-carboxamide?
2-[4-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methoxy]phenyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 470.57 g/mol, XLogP of 4.63, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methoxy]phenyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 11576419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).