N-[3-[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide

C20H28N4O2 — CID 17031290

IUPACN-[3-[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide
SMILESCC(C)(C)NC(=O)Cn1c(CCCNC(=O)C2CC2)nc2ccccc21
InChIInChI=1S/C20H28N4O2/c1-20(2,3)23-18(25)13-24-16-8-5-4-7-15(16)22-17(24)9-6-12-21-19(26)14-10-11-14/h4-5,7-8,14H,6,9-13H2,1-3H3,(H,21,26)(H,23,25)
InChIKeyKBKPRTOUUDENPY-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.41
Rot. Bonds7

About N-[3-[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide

N-[3-[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide (PubChem CID 17031290) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[3-[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide
PubChem CID17031290
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC NameN-[3-[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide
SMILESCC(C)(C)NC(=O)Cn1c(CCCNC(=O)C2CC2)nc2ccccc21
InChIInChI=1S/C20H28N4O2/c1-20(2,3)23-18(25)13-24-16-8-5-4-7-15(16)22-17(24)9-6-12-21-19(26)14-10-11-14/h4-5,7-8,14H,6,9-13H2,1-3H3,(H,21,26)(H,23,25)
InChIKeyKBKPRTOUUDENPY-UHFFFAOYSA-N
XLogP2.41
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide 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

2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-tert-butylacetamide
CID 17030947
N-[3-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]propyl]cyclopropanecarboxamide
CID 17031298
N-[3-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]propyl]cyclopropanecarboxamide
CID 16981751
N-[2-[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]oxolane-2-carboxamide
CID 17030558
N-[3-(1-heptylbenzimidazol-2-yl)propyl]cyclopropanecarboxamide
CID 16981619
N-[3-(1-decylbenzimidazol-2-yl)propyl]cyclopropanecarboxamide
CID 16981622
N-[5-[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]pentyl]cyclopropanecarboxamide
CID 16989110
N-[3-(1-prop-2-enylbenzimidazol-2-yl)propyl]cyclopropanecarboxamide
CID 16981612
N-[3-[1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide
CID 16981753
N-[3-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]propyl]cyclohexanecarboxamide
CID 16981590
N-[3-(1-prop-2-ynylbenzimidazol-2-yl)propyl]cyclohexanecarboxamide
CID 16981538
N-[3-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide
CID 16981634

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide (CID 17031290) is N-[3-[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide is CC(C)(C)NC(=O)Cn1c(CCCNC(=O)C2CC2)nc2ccccc21.
What is the InChIKey of N-[3-[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide?
The InChIKey is KBKPRTOUUDENPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-20(2,3)23-18(25)13-24-16-8-5-4-7-15(16)22-17(24)9-6-12-21-19(26)14-10-11-14/h4-5,7-8,14H,6,9-13H2,1-3H3,(H,21,26)(H,23,25).
What are the key properties of N-[3-[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide?
N-[3-[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide has a molecular weight of 356.47 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide is sourced from PubChem (CID 17031290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).