N-[1-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide

C26H34N4O2 — CID 16967909

IUPACN-[1-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide
SMILESCCCN(CCC)C(=O)Cn1c(C(C)NC(=O)c2ccc(C)cc2C)nc2ccccc21
InChIInChI=1S/C26H34N4O2/c1-6-14-29(15-7-2)24(31)17-30-23-11-9-8-10-22(23)28-25(30)20(5)27-26(32)21-13-12-18(3)16-19(21)4/h8-13,16,20H,6-7,14-15,17H2,1-5H3,(H,27,32)
InChIKeyPOFLRSIEHJAKPD-UHFFFAOYSA-N
MW434.58 g/mol
LogP4.79
Rot. Bonds9

About N-[1-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide

N-[1-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide (PubChem CID 16967909) has the molecular formula C26H34N4O2 and a molecular weight of 434.58 g/mol. Its IUPAC name is N-[1-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[1-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide
PubChem CID16967909
Molecular FormulaC26H34N4O2
Molecular Weight434.58 g/mol
Exact Mass434.27
IUPAC NameN-[1-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide
SMILESCCCN(CCC)C(=O)Cn1c(C(C)NC(=O)c2ccc(C)cc2C)nc2ccccc21
InChIInChI=1S/C26H34N4O2/c1-6-14-29(15-7-2)24(31)17-30-23-11-9-8-10-22(23)28-25(30)20(5)27-26(32)21-13-12-18(3)16-19(21)4/h8-13,16,20H,6-7,14-15,17H2,1-5H3,(H,27,32)
InChIKeyPOFLRSIEHJAKPD-UHFFFAOYSA-N
XLogP4.79
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.58
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dimethyl-N-[1-(1-octylbenzimidazol-2-yl)ethyl]benzamide
CID 16967790
3-bromo-N-[1-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17010378
N-[1-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylprop-2-enamide
CID 16970232
N-[1-[1-[2-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 16967131
N-[5-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]pentyl]-2,4-dimethylbenzamide
CID 16989724
2,4-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)ethyl]benzamide
CID 16967777
N-[1-[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 16967595
2-methyl-N-[1-[1-(2-methylbutyl)benzimidazol-2-yl]ethyl]benzamide
CID 16967470
N-[1-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide
CID 16967925
N-[[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-methylbenzamide
CID 17007228
N-[1-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methoxybenzamide
CID 16968068
N-[2-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 16977702

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide?
The IUPAC name of N-[1-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide (CID 16967909) is N-[1-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide.
What is the SMILES notation for N-[1-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide?
The canonical SMILES for N-[1-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide is CCCN(CCC)C(=O)Cn1c(C(C)NC(=O)c2ccc(C)cc2C)nc2ccccc21.
What is the InChIKey of N-[1-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide?
The InChIKey is POFLRSIEHJAKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O2/c1-6-14-29(15-7-2)24(31)17-30-23-11-9-8-10-22(23)28-25(30)20(5)27-26(32)21-13-12-18(3)16-19(21)4/h8-13,16,20H,6-7,14-15,17H2,1-5H3,(H,27,32).
What are the key properties of N-[1-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide?
N-[1-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide has a molecular weight of 434.58 g/mol, XLogP of 4.79, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide is sourced from PubChem (CID 16967909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).