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

C24H31N5O — CID 143294206

IUPACN-[2-(3-aminopiperidin-1-yl)-3-(3-methylbut-2-enyl)-1,2-dihydrobenzimidazol-5-yl]benzamide
SMILESCC(C)=CCN1c2cc(NC(=O)c3ccccc3)ccc2NC1N1CCCC(N)C1
InChIInChI=1S/C24H31N5O/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/h3-5,7-8,10-12,15,19,24,27H,6,9,13-14,16,25H2,1-2H3,(H,26,30)
InChIKeyWIKSDKLVJPKHFU-UHFFFAOYSA-N
MW405.55 g/mol
LogP3.84
Rot. Bonds5

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

N-[2-(3-aminopiperidin-1-yl)-3-(3-methylbut-2-enyl)-1,2-dihydrobenzimidazol-5-yl]benzamide (PubChem CID 143294206) has the molecular formula C24H31N5O and a molecular weight of 405.55 g/mol. Its IUPAC name is N-[2-(3-aminopiperidin-1-yl)-3-(3-methylbut-2-enyl)-1,2-dihydrobenzimidazol-5-yl]benzamide.

Molecular Properties

Compound NameN-[2-(3-aminopiperidin-1-yl)-3-(3-methylbut-2-enyl)-1,2-dihydrobenzimidazol-5-yl]benzamide
PubChem CID143294206
Molecular FormulaC24H31N5O
Molecular Weight405.55 g/mol
Exact Mass405.25
IUPAC NameN-[2-(3-aminopiperidin-1-yl)-3-(3-methylbut-2-enyl)-1,2-dihydrobenzimidazol-5-yl]benzamide
SMILESCC(C)=CCN1c2cc(NC(=O)c3ccccc3)ccc2NC1N1CCCC(N)C1
InChIInChI=1S/C24H31N5O/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/h3-5,7-8,10-12,15,19,24,27H,6,9,13-14,16,25H2,1-2H3,(H,26,30)
InChIKeyWIKSDKLVJPKHFU-UHFFFAOYSA-N
XLogP3.84
TPSA73.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.55
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-(3-aminopiperidin-1-yl)-3-(3-methylbut-2-enyl)-1,2-dihydrobenzimidazol-5-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(3-aminopiperidin-1-yl)-3-(3-methylbut-2-enyl)benzimidazol-5-yl]benzamide
CID 69406409
5-benzamido-2-[(3R)-3-methylpiperidin-1-yl]benzoic acid
CID 94083660
N'-[2-(3-aminopiperidin-1-yl)acetyl]benzohydrazide
CID 61295576
N-[4-[4-(1-methylpiperidin-3-yl)piperazine-1-carbonyl]phenyl]benzamide
CID 86958179
N-[4-[3-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide;hydrochloride
CID 119397607
N-[2-[(3S)-3-aminopiperidin-1-yl]-2-oxoethyl]benzamide
CID 166176480
N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]benzamide;hydrochloride
CID 119380136
N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)benzamide
CID 110405864
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-4-benzamidobenzamide
CID 163070461
N-[3-(cyanomethyl)-2-oxo-1,3-dihydroindol-5-yl]benzamide
CID 142598901
2-[4-(4-acetylphenyl)piperazin-1-yl]-5-benzamidobenzoic acid
CID 46362953
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

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-aminopiperidin-1-yl)-3-(3-methylbut-2-enyl)-1,2-dihydrobenzimidazol-5-yl]benzamide?
The IUPAC name of N-[2-(3-aminopiperidin-1-yl)-3-(3-methylbut-2-enyl)-1,2-dihydrobenzimidazol-5-yl]benzamide (CID 143294206) is N-[2-(3-aminopiperidin-1-yl)-3-(3-methylbut-2-enyl)-1,2-dihydrobenzimidazol-5-yl]benzamide.
What is the SMILES notation for N-[2-(3-aminopiperidin-1-yl)-3-(3-methylbut-2-enyl)-1,2-dihydrobenzimidazol-5-yl]benzamide?
The canonical SMILES for N-[2-(3-aminopiperidin-1-yl)-3-(3-methylbut-2-enyl)-1,2-dihydrobenzimidazol-5-yl]benzamide is CC(C)=CCN1c2cc(NC(=O)c3ccccc3)ccc2NC1N1CCCC(N)C1.
What is the InChIKey of N-[2-(3-aminopiperidin-1-yl)-3-(3-methylbut-2-enyl)-1,2-dihydrobenzimidazol-5-yl]benzamide?
The InChIKey is WIKSDKLVJPKHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O/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/h3-5,7-8,10-12,15,19,24,27H,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)-1,2-dihydrobenzimidazol-5-yl]benzamide?
N-[2-(3-aminopiperidin-1-yl)-3-(3-methylbut-2-enyl)-1,2-dihydrobenzimidazol-5-yl]benzamide has a molecular weight of 405.55 g/mol, XLogP of 3.84, 5 rotatable bonds, 3 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)-1,2-dihydrobenzimidazol-5-yl]benzamide is sourced from PubChem (CID 143294206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).