N-[1-[1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide

C25H28N4O3 — CID 17009747

IUPACN-[1-[1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide
SMILESC=CCN(CC=C)C(=O)Cn1c(C(C)NC(=O)c2ccc(OC)cc2)nc2ccccc21
InChIInChI=1S/C25H28N4O3/c1-5-15-28(16-6-2)23(30)17-29-22-10-8-7-9-21(22)27-24(29)18(3)26-25(31)19-11-13-20(32-4)14-12-19/h5-14,18H,1-2,15-17H2,3-4H3,(H,26,31)
InChIKeyQWXSULOYHNRVGV-UHFFFAOYSA-N
MW432.52 g/mol
LogP3.74
Rot. Bonds10

About N-[1-[1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide

N-[1-[1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide (PubChem CID 17009747) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is N-[1-[1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[1-[1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide
PubChem CID17009747
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC NameN-[1-[1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide
SMILESC=CCN(CC=C)C(=O)Cn1c(C(C)NC(=O)c2ccc(OC)cc2)nc2ccccc21
InChIInChI=1S/C25H28N4O3/c1-5-15-28(16-6-2)23(30)17-29-22-10-8-7-9-21(22)27-24(29)18(3)26-25(31)19-11-13-20(32-4)14-12-19/h5-14,18H,1-2,15-17H2,3-4H3,(H,26,31)
InChIKeyQWXSULOYHNRVGV-UHFFFAOYSA-N
XLogP3.74
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]pyridine-4-carboxamide
CID 16965496
methyl 2-[2-[1-[(4-methoxybenzoyl)amino]ethyl]benzimidazol-1-yl]acetate
CID 17009764
4-methoxy-N-[1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]benzamide
CID 17009618
N-[1-(1-heptylbenzimidazol-2-yl)ethyl]-4-methoxybenzamide
CID 17009628
3-methoxy-N-[1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide
CID 17010091
N-[1-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]benzamide
CID 4753696
4-fluoro-N-[(1S)-1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide
CID 751224
4-bromo-N-[1-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide
CID 17009306
4-chloro-N-[1-[1-[2-oxo-2-(prop-2-enylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17029626
N-[1-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967438
N-[1-[1-[4-(4-tert-butylphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide
CID 17009740
4-methoxy-N-[1-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009703

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide?
The IUPAC name of N-[1-[1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide (CID 17009747) is N-[1-[1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide.
What is the SMILES notation for N-[1-[1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide?
The canonical SMILES for N-[1-[1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide is C=CCN(CC=C)C(=O)Cn1c(C(C)NC(=O)c2ccc(OC)cc2)nc2ccccc21.
What is the InChIKey of N-[1-[1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide?
The InChIKey is QWXSULOYHNRVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-5-15-28(16-6-2)23(30)17-29-22-10-8-7-9-21(22)27-24(29)18(3)26-25(31)19-11-13-20(32-4)14-12-19/h5-14,18H,1-2,15-17H2,3-4H3,(H,26,31).
What are the key properties of N-[1-[1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide?
N-[1-[1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide has a molecular weight of 432.52 g/mol, XLogP of 3.74, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[2-[bis(prop-2-enyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide is sourced from PubChem (CID 17009747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).