4-[4-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]piperidin-1-yl]-4-oxobutanamide

C24H28N4O3 — CID 42431242

IUPAC4-[4-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]piperidin-1-yl]-4-oxobutanamide
SMILESCOc1ccc(Cc2nc3ccccc3n2C2CCN(C(=O)CCC(N)=O)CC2)cc1
InChIInChI=1S/C24H28N4O3/c1-31-19-8-6-17(7-9-19)16-23-26-20-4-2-3-5-21(20)28(23)18-12-14-27(15-13-18)24(30)11-10-22(25)29/h2-9,18H,10-16H2,1H3,(H2,25,29)
InChIKeyCZASYQJKXKPNHN-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.06
Rot. Bonds7

About 4-[4-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]piperidin-1-yl]-4-oxobutanamide

4-[4-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]piperidin-1-yl]-4-oxobutanamide (PubChem CID 42431242) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 4-[4-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]piperidin-1-yl]-4-oxobutanamide.

Molecular Properties

Compound Name4-[4-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]piperidin-1-yl]-4-oxobutanamide
PubChem CID42431242
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name4-[4-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]piperidin-1-yl]-4-oxobutanamide
SMILESCOc1ccc(Cc2nc3ccccc3n2C2CCN(C(=O)CCC(N)=O)CC2)cc1
InChIInChI=1S/C24H28N4O3/c1-31-19-8-6-17(7-9-19)16-23-26-20-4-2-3-5-21(20)28(23)18-12-14-27(15-13-18)24(30)11-10-22(25)29/h2-9,18H,10-16H2,1H3,(H2,25,29)
InChIKeyCZASYQJKXKPNHN-UHFFFAOYSA-N
XLogP3.06
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-methoxyphenyl)methyl]-1-(1-propylpiperidin-4-yl)benzimidazole
CID 26345971
(3R)-1-[4-(2-benzylbenzimidazol-1-yl)piperidin-1-yl]-3-phenylbutan-1-one
CID 92772347
1-[4-(2-benzylbenzimidazol-1-yl)piperidin-1-yl]-2-(cyclohexen-1-yl)ethanone
CID 46092198
1-[4-[5-fluoro-2-[(2-methoxyphenyl)methyl]benzimidazol-1-yl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 26340007
(2S)-1-[4-(2-benzylbenzimidazol-1-yl)piperidin-1-yl]-2-(4-methylphenyl)propan-1-one
CID 92772684
(2S)-2-amino-1-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]propan-1-one
CID 129393280
1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]benzimidazol-2-amine
CID 140529272
1-(4-acetylpiperazin-1-yl)-2-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]ethanone
CID 136520142
(2R)-2-amino-1-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]propan-1-one;hydrochloride
CID 120873998
2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]ethanethioamide
CID 39151397
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-[2-(phenoxymethyl)benzimidazol-1-yl]piperidin-1-yl]ethanone
CID 42437655
2-[(4-methoxyphenyl)methyl]-1-propan-2-ylbenzimidazole
CID 5016671

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]piperidin-1-yl]-4-oxobutanamide?
The IUPAC name of 4-[4-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]piperidin-1-yl]-4-oxobutanamide (CID 42431242) is 4-[4-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]piperidin-1-yl]-4-oxobutanamide.
What is the SMILES notation for 4-[4-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]piperidin-1-yl]-4-oxobutanamide?
The canonical SMILES for 4-[4-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]piperidin-1-yl]-4-oxobutanamide is COc1ccc(Cc2nc3ccccc3n2C2CCN(C(=O)CCC(N)=O)CC2)cc1.
What is the InChIKey of 4-[4-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]piperidin-1-yl]-4-oxobutanamide?
The InChIKey is CZASYQJKXKPNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-31-19-8-6-17(7-9-19)16-23-26-20-4-2-3-5-21(20)28(23)18-12-14-27(15-13-18)24(30)11-10-22(25)29/h2-9,18H,10-16H2,1H3,(H2,25,29).
What are the key properties of 4-[4-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]piperidin-1-yl]-4-oxobutanamide?
4-[4-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]piperidin-1-yl]-4-oxobutanamide has a molecular weight of 420.51 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]piperidin-1-yl]-4-oxobutanamide is sourced from PubChem (CID 42431242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).