2-[4-[[1-(3-oxo-3-phenylpropyl)benzimidazol-2-yl]methyl]piperazin-1-yl]-N,N-dipropylacetamide

C29H39N5O2 — CID 20840474

IUPAC2-[4-[[1-(3-oxo-3-phenylpropyl)benzimidazol-2-yl]methyl]piperazin-1-yl]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CN1CCN(Cc2nc3ccccc3n2CCC(=O)c2ccccc2)CC1
InChIInChI=1S/C29H39N5O2/c1-3-15-33(16-4-2)29(36)23-32-20-18-31(19-21-32)22-28-30-25-12-8-9-13-26(25)34(28)17-14-27(35)24-10-6-5-7-11-24/h5-13H,3-4,14-23H2,1-2H3
InChIKeyYOWXZOQUVFDRCP-UHFFFAOYSA-N
MW489.66 g/mol
LogP4.08
Rot. Bonds12

About 2-[4-[[1-(3-oxo-3-phenylpropyl)benzimidazol-2-yl]methyl]piperazin-1-yl]-N,N-dipropylacetamide

2-[4-[[1-(3-oxo-3-phenylpropyl)benzimidazol-2-yl]methyl]piperazin-1-yl]-N,N-dipropylacetamide (PubChem CID 20840474) has the molecular formula C29H39N5O2 and a molecular weight of 489.66 g/mol. Its IUPAC name is 2-[4-[[1-(3-oxo-3-phenylpropyl)benzimidazol-2-yl]methyl]piperazin-1-yl]-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-[4-[[1-(3-oxo-3-phenylpropyl)benzimidazol-2-yl]methyl]piperazin-1-yl]-N,N-dipropylacetamide
PubChem CID20840474
Molecular FormulaC29H39N5O2
Molecular Weight489.66 g/mol
Exact Mass489.31
IUPAC Name2-[4-[[1-(3-oxo-3-phenylpropyl)benzimidazol-2-yl]methyl]piperazin-1-yl]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CN1CCN(Cc2nc3ccccc3n2CCC(=O)c2ccccc2)CC1
InChIInChI=1S/C29H39N5O2/c1-3-15-33(16-4-2)29(36)23-32-20-18-31(19-21-32)22-28-30-25-12-8-9-13-26(25)34(28)17-14-27(35)24-10-6-5-7-11-24/h5-13H,3-4,14-23H2,1-2H3
InChIKeyYOWXZOQUVFDRCP-UHFFFAOYSA-N
XLogP4.08
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.66
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-[[1-(3-oxo-3-phenylpropyl)benzimidazol-2-yl]methyl]piperazin-1-yl]-N,N-dipropylacetamide with MolForge

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Related Compounds

bis((E)-but-2-enedioic acid);N-butyl-2-[4-[[1-(3-oxo-3-phenylpropyl)benzimidazol-2-yl]methyl]piperazin-1-yl]acetamide
CID 6446461
2-[(4-methylpiperazin-1-yl)methyl]-1-propylbenzimidazole
CID 2985021
2-[(4-methylpiperazin-1-yl)methyl]-1-propylbenzimidazole;hydrochloride
CID 171151742
2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-N,N-dipropylacetamide
CID 112796921
2-[2-(azepan-1-ylmethyl)benzimidazol-1-yl]-N-butyl-N-methylacetamide
CID 23609975
4-[(1-ethylbenzimidazol-2-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide
CID 75438563
2-[4-(2-phenylethyl)piperazin-1-yl]-N,N-dipropylacetamide
CID 52553124
bis((E)-but-2-enedioic acid);3-[2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]benzimidazol-1-yl]-1-(3,4,5-trimethoxyphenyl)propan-1-one
CID 6445897
but-2-enedioate;3-[2-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]benzimidazol-1-yl]-1-(3,4,5-trimethoxyphenyl)propan-1-one
CID 53425438
N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-4-oxo-4-phenylbutanamide
CID 51097095
ethyl 1-[(1-butylbenzimidazol-2-yl)methyl]piperidine-4-carboxylate
CID 134084299
N-[[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-methylbenzamide
CID 17007228

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[1-(3-oxo-3-phenylpropyl)benzimidazol-2-yl]methyl]piperazin-1-yl]-N,N-dipropylacetamide?
The IUPAC name of 2-[4-[[1-(3-oxo-3-phenylpropyl)benzimidazol-2-yl]methyl]piperazin-1-yl]-N,N-dipropylacetamide (CID 20840474) is 2-[4-[[1-(3-oxo-3-phenylpropyl)benzimidazol-2-yl]methyl]piperazin-1-yl]-N,N-dipropylacetamide.
What is the SMILES notation for 2-[4-[[1-(3-oxo-3-phenylpropyl)benzimidazol-2-yl]methyl]piperazin-1-yl]-N,N-dipropylacetamide?
The canonical SMILES for 2-[4-[[1-(3-oxo-3-phenylpropyl)benzimidazol-2-yl]methyl]piperazin-1-yl]-N,N-dipropylacetamide is CCCN(CCC)C(=O)CN1CCN(Cc2nc3ccccc3n2CCC(=O)c2ccccc2)CC1.
What is the InChIKey of 2-[4-[[1-(3-oxo-3-phenylpropyl)benzimidazol-2-yl]methyl]piperazin-1-yl]-N,N-dipropylacetamide?
The InChIKey is YOWXZOQUVFDRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39N5O2/c1-3-15-33(16-4-2)29(36)23-32-20-18-31(19-21-32)22-28-30-25-12-8-9-13-26(25)34(28)17-14-27(35)24-10-6-5-7-11-24/h5-13H,3-4,14-23H2,1-2H3.
What are the key properties of 2-[4-[[1-(3-oxo-3-phenylpropyl)benzimidazol-2-yl]methyl]piperazin-1-yl]-N,N-dipropylacetamide?
2-[4-[[1-(3-oxo-3-phenylpropyl)benzimidazol-2-yl]methyl]piperazin-1-yl]-N,N-dipropylacetamide has a molecular weight of 489.66 g/mol, XLogP of 4.08, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[1-(3-oxo-3-phenylpropyl)benzimidazol-2-yl]methyl]piperazin-1-yl]-N,N-dipropylacetamide is sourced from PubChem (CID 20840474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).