N-[2-(3-aminopiperidin-1-yl)-3-(3-methylbut-2-enyl)benzimidazol-5-yl]benzamide

C24H29N5O — CID 69406409

IUPACN-[2-(3-aminopiperidin-1-yl)-3-(3-methylbut-2-enyl)benzimidazol-5-yl]benzamide
SMILESCC(C)=CCn1c(N2CCCC(N)C2)nc2ccc(NC(=O)c3ccccc3)cc21
InChIInChI=1S/C24H29N5O/c1-17(2)12-14-29-22-15-20(26-23(30)18-7-4-3-5-8-18)10-11-21(22)27-24(29)28-13-6-9-19(25)16-28/h3-5,7-8,10-12,15,19H,6,9,13-14,16,25H2,1-2H3,(H,26,30)
InChIKeyUNMIGZZIAWQRAI-UHFFFAOYSA-N
MW403.53 g/mol
LogP4.18
Rot. Bonds5

About N-[2-(3-aminopiperidin-1-yl)-3-(3-methylbut-2-enyl)benzimidazol-5-yl]benzamide

N-[2-(3-aminopiperidin-1-yl)-3-(3-methylbut-2-enyl)benzimidazol-5-yl]benzamide (PubChem CID 69406409) has the molecular formula C24H29N5O and a molecular weight of 403.53 g/mol. Its IUPAC name is N-[2-(3-aminopiperidin-1-yl)-3-(3-methylbut-2-enyl)benzimidazol-5-yl]benzamide.

Molecular Properties

Compound NameN-[2-(3-aminopiperidin-1-yl)-3-(3-methylbut-2-enyl)benzimidazol-5-yl]benzamide
PubChem CID69406409
Molecular FormulaC24H29N5O
Molecular Weight403.53 g/mol
Exact Mass403.24
IUPAC NameN-[2-(3-aminopiperidin-1-yl)-3-(3-methylbut-2-enyl)benzimidazol-5-yl]benzamide
SMILESCC(C)=CCn1c(N2CCCC(N)C2)nc2ccc(NC(=O)c3ccccc3)cc21
InChIInChI=1S/C24H29N5O/c1-17(2)12-14-29-22-15-20(26-23(30)18-7-4-3-5-8-18)10-11-21(22)27-24(29)28-13-6-9-19(25)16-28/h3-5,7-8,10-12,15,19H,6,9,13-14,16,25H2,1-2H3,(H,26,30)
InChIKeyUNMIGZZIAWQRAI-UHFFFAOYSA-N
XLogP4.18
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[2-[6-benzamido-1-(3-methylbut-2-enyl)benzimidazol-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl] tert-butyl carbonate
CID 69157049
N-[3-[2-[8-(3-aminopiperidin-1-yl)-3-methyl-7-(3-methylbut-2-enyl)-2,6-dioxopurin-1-yl]acetyl]phenyl]acetamide
CID 57499111
N-[2-(3-aminopiperidin-1-yl)-3-(3-methylbut-2-enyl)-1,2-dihydrobenzimidazol-5-yl]benzamide
CID 143294206
3-[2-[8-(3-aminopiperidin-1-yl)-3-methyl-7-(3-methylbut-2-enyl)-2,6-dioxopurin-1-yl]acetyl]-N-methylbenzamide;hydrochloride
CID 66754298
2-[3-[2-[8-(3-aminopiperidin-1-yl)-3-methyl-7-(3-methylbut-2-enyl)-2,6-dioxopurin-1-yl]acetyl]anilino]acetaldehyde
CID 175241412
2-[8-(3-aminopiperidin-1-yl)-7-(3-methylbut-2-enyl)-2,6-dioxo-1-(2-phenylethyl)purin-3-yl]acetic acid
CID 57499152
8-(3-aminopiperidin-1-yl)-3-methyl-7-(3-methylbut-2-enyl)-1-(phenylsulfanylmethyl)purine-2,6-dione
CID 57499056
[3-[2-[8-(3-aminopiperidin-1-yl)-3-methyl-7-(3-methylbut-2-enyl)-2,6-dioxopurin-1-yl]acetyl]anilino]methanesulfinate
CID 175241426
8-(3-aminopiperidin-1-yl)-3-methyl-7-(3-methylbut-2-enyl)-1-[2-(2-methylphenyl)-2-oxoethyl]purine-2,6-dione
CID 57499407
2-(3-aminopiperidin-1-yl)-3-(3-methylbut-2-enyl)-5-(quinazolin-2-ylmethyl)imidazo[4,5-d]pyridazin-4-one
CID 21054449
2-[8-(3-aminopiperidin-1-yl)-3-methyl-7-(3-methylbut-2-enyl)-2,6-dioxopurin-1-yl]-1-phenylethanesulfinic acid
CID 174454845
2-[2-[8-(3-aminopiperidin-1-yl)-3-methyl-7-(3-methylbut-2-enyl)-2,6-dioxopurin-1-yl]acetyl]-N,N-dimethylbenzamide;hydrochloride
CID 66753730

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-aminopiperidin-1-yl)-3-(3-methylbut-2-enyl)benzimidazol-5-yl]benzamide?
The IUPAC name of N-[2-(3-aminopiperidin-1-yl)-3-(3-methylbut-2-enyl)benzimidazol-5-yl]benzamide (CID 69406409) is N-[2-(3-aminopiperidin-1-yl)-3-(3-methylbut-2-enyl)benzimidazol-5-yl]benzamide.
What is the SMILES notation for N-[2-(3-aminopiperidin-1-yl)-3-(3-methylbut-2-enyl)benzimidazol-5-yl]benzamide?
The canonical SMILES for N-[2-(3-aminopiperidin-1-yl)-3-(3-methylbut-2-enyl)benzimidazol-5-yl]benzamide is CC(C)=CCn1c(N2CCCC(N)C2)nc2ccc(NC(=O)c3ccccc3)cc21.
What is the InChIKey of N-[2-(3-aminopiperidin-1-yl)-3-(3-methylbut-2-enyl)benzimidazol-5-yl]benzamide?
The InChIKey is UNMIGZZIAWQRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O/c1-17(2)12-14-29-22-15-20(26-23(30)18-7-4-3-5-8-18)10-11-21(22)27-24(29)28-13-6-9-19(25)16-28/h3-5,7-8,10-12,15,19H,6,9,13-14,16,25H2,1-2H3,(H,26,30).
What are the key properties of N-[2-(3-aminopiperidin-1-yl)-3-(3-methylbut-2-enyl)benzimidazol-5-yl]benzamide?
N-[2-(3-aminopiperidin-1-yl)-3-(3-methylbut-2-enyl)benzimidazol-5-yl]benzamide has a molecular weight of 403.53 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-aminopiperidin-1-yl)-3-(3-methylbut-2-enyl)benzimidazol-5-yl]benzamide is sourced from PubChem (CID 69406409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).