N-[5-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]propanamide

C25H40N4O2 — CID 16988106

IUPACN-[5-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]propanamide
SMILESCCC(=O)NCCCCCc1nc2ccccc2n1CC(=O)N(CC(C)C)CC(C)C
InChIInChI=1S/C25H40N4O2/c1-6-24(30)26-15-11-7-8-14-23-27-21-12-9-10-13-22(21)29(23)18-25(31)28(16-19(2)3)17-20(4)5/h9-10,12-13,19-20H,6-8,11,14-18H2,1-5H3,(H,26,30)
InChIKeyZTKAFBMKKLNUCX-UHFFFAOYSA-N
MW428.62 g/mol
LogP4.42
Rot. Bonds13

About N-[5-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]propanamide

N-[5-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]propanamide (PubChem CID 16988106) has the molecular formula C25H40N4O2 and a molecular weight of 428.62 g/mol. Its IUPAC name is N-[5-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]propanamide.

Molecular Properties

Compound NameN-[5-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]propanamide
PubChem CID16988106
Molecular FormulaC25H40N4O2
Molecular Weight428.62 g/mol
Exact Mass428.32
IUPAC NameN-[5-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]propanamide
SMILESCCC(=O)NCCCCCc1nc2ccccc2n1CC(=O)N(CC(C)C)CC(C)C
InChIInChI=1S/C25H40N4O2/c1-6-24(30)26-15-11-7-8-14-23-27-21-12-9-10-13-22(21)29(23)18-25(31)28(16-19(2)3)17-20(4)5/h9-10,12-13,19-20H,6-8,11,14-18H2,1-5H3,(H,26,30)
InChIKeyZTKAFBMKKLNUCX-UHFFFAOYSA-N
XLogP4.42
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.62
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-3-phenylpropanamide
CID 16992642
N-[5-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-2-methylprop-2-enamide
CID 16992480
2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide
CID 16981382
N-[5-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-4-methoxybenzamide
CID 16991346
N-[5-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-3-chlorobenzamide
CID 16990536
N-[3-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]prop-2-enamide
CID 16986831
N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16979038
propan-2-yl 2-[2-[5-(propanoylamino)pentyl]benzimidazol-1-yl]acetate
CID 16988124
N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-ethylbutanamide
CID 16974826
N-[3-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methylbenzamide
CID 16982475
N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide
CID 16979200
N-[5-(1-pentylbenzimidazol-2-yl)pentyl]propanamide
CID 16987982

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]propanamide?
The IUPAC name of N-[5-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]propanamide (CID 16988106) is N-[5-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]propanamide.
What is the SMILES notation for N-[5-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]propanamide?
The canonical SMILES for N-[5-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]propanamide is CCC(=O)NCCCCCc1nc2ccccc2n1CC(=O)N(CC(C)C)CC(C)C.
What is the InChIKey of N-[5-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]propanamide?
The InChIKey is ZTKAFBMKKLNUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40N4O2/c1-6-24(30)26-15-11-7-8-14-23-27-21-12-9-10-13-22(21)29(23)18-25(31)28(16-19(2)3)17-20(4)5/h9-10,12-13,19-20H,6-8,11,14-18H2,1-5H3,(H,26,30).
What are the key properties of N-[5-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]propanamide?
N-[5-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]propanamide has a molecular weight of 428.62 g/mol, XLogP of 4.42, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]propanamide is sourced from PubChem (CID 16988106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).