N-[2-[1-[3-(5,6-dimethylbenzimidazol-1-yl)propanoyl]piperidin-2-yl]ethyl]benzamide

C26H32N4O2 — CID 110076051

IUPACN-[2-[1-[3-(5,6-dimethylbenzimidazol-1-yl)propanoyl]piperidin-2-yl]ethyl]benzamide
SMILESCc1cc2ncn(CCC(=O)N3CCCCC3CCNC(=O)c3ccccc3)c2cc1C
InChIInChI=1S/C26H32N4O2/c1-19-16-23-24(17-20(19)2)29(18-28-23)15-12-25(31)30-14-7-6-10-22(30)11-13-27-26(32)21-8-4-3-5-9-21/h3-5,8-9,16-18,22H,6-7,10-15H2,1-2H3,(H,27,32)
InChIKeyDFNANHNWZHLBRU-UHFFFAOYSA-N
MW432.57 g/mol
LogP4.24
Rot. Bonds7

About N-[2-[1-[3-(5,6-dimethylbenzimidazol-1-yl)propanoyl]piperidin-2-yl]ethyl]benzamide

N-[2-[1-[3-(5,6-dimethylbenzimidazol-1-yl)propanoyl]piperidin-2-yl]ethyl]benzamide (PubChem CID 110076051) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is N-[2-[1-[3-(5,6-dimethylbenzimidazol-1-yl)propanoyl]piperidin-2-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[1-[3-(5,6-dimethylbenzimidazol-1-yl)propanoyl]piperidin-2-yl]ethyl]benzamide
PubChem CID110076051
Molecular FormulaC26H32N4O2
Molecular Weight432.57 g/mol
Exact Mass432.25
IUPAC NameN-[2-[1-[3-(5,6-dimethylbenzimidazol-1-yl)propanoyl]piperidin-2-yl]ethyl]benzamide
SMILESCc1cc2ncn(CCC(=O)N3CCCCC3CCNC(=O)c3ccccc3)c2cc1C
InChIInChI=1S/C26H32N4O2/c1-19-16-23-24(17-20(19)2)29(18-28-23)15-12-25(31)30-14-7-6-10-22(30)11-13-27-26(32)21-8-4-3-5-9-21/h3-5,8-9,16-18,22H,6-7,10-15H2,1-2H3,(H,27,32)
InChIKeyDFNANHNWZHLBRU-UHFFFAOYSA-N
XLogP4.24
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2R)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidin-2-yl]ethyl]benzamide
CID 92634328
N-[2-[1-[3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanoyl]piperidin-2-yl]ethyl]benzamide
CID 132779425
N-[2-[(2S)-1-[2-(1,3-dimethyl-2,6-dioxopurin-9-yl)acetyl]piperidin-2-yl]ethyl]benzamide
CID 124968105
N-[2-[(2R)-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-2-yl]ethyl]benzamide
CID 92634245
N-[2-(1-methylpyrrolidin-2-yl)ethyl]benzamide
CID 70840667
N-[2-[(2R)-1-(2,2-diphenylacetyl)piperidin-2-yl]ethyl]benzamide
CID 129455068
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(5,6-dimethylbenzimidazol-1-yl)propan-1-one
CID 3172857
3-[3-[(2S)-2-(aminomethyl)piperidin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 124698567
1-(2-hydroxyethyl)-N-[2-[2-(hydroxymethyl)piperidin-1-yl]ethyl]benzimidazole-5-carboxamide
CID 74234324
N-[[1-(4-aminobutanoyl)piperidin-2-yl]methyl]benzamide;hydrochloride
CID 119313514
3-(5,6-dimethylbenzimidazol-1-yl)propanoic acid;hydrochloride
CID 16615175
3-amino-N-[[1-[3-(4-oxoquinazolin-3-yl)propanoyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579742

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[3-(5,6-dimethylbenzimidazol-1-yl)propanoyl]piperidin-2-yl]ethyl]benzamide?
The IUPAC name of N-[2-[1-[3-(5,6-dimethylbenzimidazol-1-yl)propanoyl]piperidin-2-yl]ethyl]benzamide (CID 110076051) is N-[2-[1-[3-(5,6-dimethylbenzimidazol-1-yl)propanoyl]piperidin-2-yl]ethyl]benzamide.
What is the SMILES notation for N-[2-[1-[3-(5,6-dimethylbenzimidazol-1-yl)propanoyl]piperidin-2-yl]ethyl]benzamide?
The canonical SMILES for N-[2-[1-[3-(5,6-dimethylbenzimidazol-1-yl)propanoyl]piperidin-2-yl]ethyl]benzamide is Cc1cc2ncn(CCC(=O)N3CCCCC3CCNC(=O)c3ccccc3)c2cc1C.
What is the InChIKey of N-[2-[1-[3-(5,6-dimethylbenzimidazol-1-yl)propanoyl]piperidin-2-yl]ethyl]benzamide?
The InChIKey is DFNANHNWZHLBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2/c1-19-16-23-24(17-20(19)2)29(18-28-23)15-12-25(31)30-14-7-6-10-22(30)11-13-27-26(32)21-8-4-3-5-9-21/h3-5,8-9,16-18,22H,6-7,10-15H2,1-2H3,(H,27,32).
What are the key properties of N-[2-[1-[3-(5,6-dimethylbenzimidazol-1-yl)propanoyl]piperidin-2-yl]ethyl]benzamide?
N-[2-[1-[3-(5,6-dimethylbenzimidazol-1-yl)propanoyl]piperidin-2-yl]ethyl]benzamide has a molecular weight of 432.57 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[3-(5,6-dimethylbenzimidazol-1-yl)propanoyl]piperidin-2-yl]ethyl]benzamide is sourced from PubChem (CID 110076051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).