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

C26H40N4O2 — CID 16992480

IUPACN-[5-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCCCCc1nc2ccccc2n1CC(=O)N(CC(C)C)CC(C)C
InChIInChI=1S/C26H40N4O2/c1-19(2)16-29(17-20(3)4)25(31)18-30-23-13-10-9-12-22(23)28-24(30)14-8-7-11-15-27-26(32)21(5)6/h9-10,12-13,19-20H,5,7-8,11,14-18H2,1-4,6H3,(H,27,32)
InChIKeyFMWLQUFQSIDQCH-UHFFFAOYSA-N
MW440.63 g/mol
LogP4.58
Rot. Bonds13

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

N-[5-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-2-methylprop-2-enamide (PubChem CID 16992480) has the molecular formula C26H40N4O2 and a molecular weight of 440.63 g/mol. Its IUPAC name is N-[5-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[5-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-2-methylprop-2-enamide
PubChem CID16992480
Molecular FormulaC26H40N4O2
Molecular Weight440.63 g/mol
Exact Mass440.32
IUPAC NameN-[5-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCCCCc1nc2ccccc2n1CC(=O)N(CC(C)C)CC(C)C
InChIInChI=1S/C26H40N4O2/c1-19(2)16-29(17-20(3)4)25(31)18-30-23-13-10-9-12-22(23)28-24(30)14-8-7-11-15-27-26(32)21(5)6/h9-10,12-13,19-20H,5,7-8,11,14-18H2,1-4,6H3,(H,27,32)
InChIKeyFMWLQUFQSIDQCH-UHFFFAOYSA-N
XLogP4.58
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.63
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[5-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-2-methylprop-2-enamide
CID 16992477
N-[5-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]propanamide
CID 16988106
N-[5-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-3-phenylpropanamide
CID 16992642
N-[3-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]prop-2-enamide
CID 16986831
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
2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide
CID 16981382
N-[3-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methylbenzamide
CID 16982475
N-[5-(1-decylbenzimidazol-2-yl)pentyl]-2-methylprop-2-enamide
CID 16992361
2-methyl-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]prop-2-enamide
CID 16992362
2-[2-(5-acetamidopentyl)benzimidazol-1-yl]-N,N-dipropylacetamide
CID 16987942
N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-ethylbutanamide
CID 16974826

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-2-methylprop-2-enamide?
The IUPAC name of N-[5-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-2-methylprop-2-enamide (CID 16992480) is N-[5-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[5-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[5-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-2-methylprop-2-enamide is C=C(C)C(=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]-2-methylprop-2-enamide?
The InChIKey is FMWLQUFQSIDQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N4O2/c1-19(2)16-29(17-20(3)4)25(31)18-30-23-13-10-9-12-22(23)28-24(30)14-8-7-11-15-27-26(32)21(5)6/h9-10,12-13,19-20H,5,7-8,11,14-18H2,1-4,6H3,(H,27,32).
What are the key properties of N-[5-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-2-methylprop-2-enamide?
N-[5-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-2-methylprop-2-enamide has a molecular weight of 440.63 g/mol, XLogP of 4.58, 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]-2-methylprop-2-enamide is sourced from PubChem (CID 16992480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).