N-naphthalen-1-yl-2-[4-[[2-(phenoxymethyl)benzimidazol-1-yl]methyl]piperidin-1-yl]acetamide

C32H32N4O2 — CID 121079245

IUPACN-naphthalen-1-yl-2-[4-[[2-(phenoxymethyl)benzimidazol-1-yl]methyl]piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(Cn2c(COc3ccccc3)nc3ccccc32)CC1)Nc1cccc2ccccc12
InChIInChI=1S/C32H32N4O2/c37-32(34-28-15-8-10-25-9-4-5-13-27(25)28)22-35-19-17-24(18-20-35)21-36-30-16-7-6-14-29(30)33-31(36)23-38-26-11-2-1-3-12-26/h1-16,24H,17-23H2,(H,34,37)
InChIKeyJSEABLYTNBUDBF-UHFFFAOYSA-N
MW504.63 g/mol
LogP6.12
Rot. Bonds8

About N-naphthalen-1-yl-2-[4-[[2-(phenoxymethyl)benzimidazol-1-yl]methyl]piperidin-1-yl]acetamide

N-naphthalen-1-yl-2-[4-[[2-(phenoxymethyl)benzimidazol-1-yl]methyl]piperidin-1-yl]acetamide (PubChem CID 121079245) has the molecular formula C32H32N4O2 and a molecular weight of 504.63 g/mol. Its IUPAC name is N-naphthalen-1-yl-2-[4-[[2-(phenoxymethyl)benzimidazol-1-yl]methyl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-naphthalen-1-yl-2-[4-[[2-(phenoxymethyl)benzimidazol-1-yl]methyl]piperidin-1-yl]acetamide
PubChem CID121079245
Molecular FormulaC32H32N4O2
Molecular Weight504.63 g/mol
Exact Mass504.25
IUPAC NameN-naphthalen-1-yl-2-[4-[[2-(phenoxymethyl)benzimidazol-1-yl]methyl]piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(Cn2c(COc3ccccc3)nc3ccccc32)CC1)Nc1cccc2ccccc12
InChIInChI=1S/C32H32N4O2/c37-32(34-28-15-8-10-25-9-4-5-13-27(25)28)22-35-19-17-24(18-20-35)21-36-30-16-7-6-14-29(30)33-31(36)23-38-26-11-2-1-3-12-26/h1-16,24H,17-23H2,(H,34,37)
InChIKeyJSEABLYTNBUDBF-UHFFFAOYSA-N
XLogP6.12
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.63
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

oxalic acid;2-[4-[[2-(phenoxymethyl)benzimidazol-1-yl]methyl]piperidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 121079288
1-(cyclopropylmethyl)-2-(phenoxymethyl)benzimidazole
CID 139007627
oxalic acid;2-(phenoxymethyl)-1-[[1-[(4-phenylmethoxyphenyl)methyl]piperidin-4-yl]methyl]benzimidazole
CID 121079280
N-(2,5-dimethylphenyl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 17031795
(2,5-dichlorophenyl)-[4-[[2-(phenoxymethyl)benzimidazol-1-yl]methyl]piperidin-1-yl]methanone
CID 121079067
2-(4-methyl-1,3-thiazol-2-yl)-3-oxo-4-[4-[[2-(phenoxymethyl)benzimidazol-1-yl]methyl]piperidin-1-yl]butanenitrile;oxalic acid
CID 71780938
2-cyclopropyl-2-[[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]amino]acetic acid
CID 119213222
methyl 4-fluoro-5-[[2-[2-(phenoxymethyl)benzimidazol-1-yl]acetyl]amino]isoquinoline-1-carboxylate
CID 167856838
N-(2-methoxyphenyl)-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide
CID 17032255
N-(3-methoxyphenyl)-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 3597096
N-[3-(carbamoylamino)phenyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 36824061
N,N-dicyclohexyl-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 16997064

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-2-[4-[[2-(phenoxymethyl)benzimidazol-1-yl]methyl]piperidin-1-yl]acetamide?
The IUPAC name of N-naphthalen-1-yl-2-[4-[[2-(phenoxymethyl)benzimidazol-1-yl]methyl]piperidin-1-yl]acetamide (CID 121079245) is N-naphthalen-1-yl-2-[4-[[2-(phenoxymethyl)benzimidazol-1-yl]methyl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-naphthalen-1-yl-2-[4-[[2-(phenoxymethyl)benzimidazol-1-yl]methyl]piperidin-1-yl]acetamide?
The canonical SMILES for N-naphthalen-1-yl-2-[4-[[2-(phenoxymethyl)benzimidazol-1-yl]methyl]piperidin-1-yl]acetamide is O=C(CN1CCC(Cn2c(COc3ccccc3)nc3ccccc32)CC1)Nc1cccc2ccccc12.
What is the InChIKey of N-naphthalen-1-yl-2-[4-[[2-(phenoxymethyl)benzimidazol-1-yl]methyl]piperidin-1-yl]acetamide?
The InChIKey is JSEABLYTNBUDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N4O2/c37-32(34-28-15-8-10-25-9-4-5-13-27(25)28)22-35-19-17-24(18-20-35)21-36-30-16-7-6-14-29(30)33-31(36)23-38-26-11-2-1-3-12-26/h1-16,24H,17-23H2,(H,34,37).
What are the key properties of N-naphthalen-1-yl-2-[4-[[2-(phenoxymethyl)benzimidazol-1-yl]methyl]piperidin-1-yl]acetamide?
N-naphthalen-1-yl-2-[4-[[2-(phenoxymethyl)benzimidazol-1-yl]methyl]piperidin-1-yl]acetamide has a molecular weight of 504.63 g/mol, XLogP of 6.12, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-2-[4-[[2-(phenoxymethyl)benzimidazol-1-yl]methyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 121079245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).