N-[[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-methylbenzamide

C24H30N4O2 — CID 17007228

IUPACN-[[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-methylbenzamide
SMILESCCCN(CCC)C(=O)Cn1c(CNC(=O)c2ccc(C)cc2)nc2ccccc21
InChIInChI=1S/C24H30N4O2/c1-4-14-27(15-5-2)23(29)17-28-21-9-7-6-8-20(21)26-22(28)16-25-24(30)19-12-10-18(3)11-13-19/h6-13H,4-5,14-17H2,1-3H3,(H,25,30)
InChIKeySQHRANBCTZCWRI-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.92
Rot. Bonds9

About N-[[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-methylbenzamide

N-[[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-methylbenzamide (PubChem CID 17007228) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is N-[[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-methylbenzamide
PubChem CID17007228
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC NameN-[[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-methylbenzamide
SMILESCCCN(CCC)C(=O)Cn1c(CNC(=O)c2ccc(C)cc2)nc2ccccc21
InChIInChI=1S/C24H30N4O2/c1-4-14-27(15-5-2)23(29)17-28-21-9-7-6-8-20(21)26-22(28)16-25-24(30)19-12-10-18(3)11-13-19/h6-13H,4-5,14-17H2,1-3H3,(H,25,30)
InChIKeySQHRANBCTZCWRI-UHFFFAOYSA-N
XLogP3.92
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]-4-methylbenzamide
CID 17007252
N-[[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-methylbenzamide
CID 17007232
4-methyl-N-[(1-octylbenzimidazol-2-yl)methyl]benzamide
CID 17007109
4-methyl-N-[(1-undecylbenzimidazol-2-yl)methyl]benzamide
CID 17007112
N-[2-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 16977702
N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide
CID 16976638
N-[[1-[2-(tert-butylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-methylbenzamide
CID 17029492
N-[[1-(2-ethoxyethyl)benzimidazol-2-yl]methyl]-4-methylbenzamide
CID 17007225
N-[3-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-ethylbutanamide
CID 16981080
ethyl 2-[2-[[(4-methoxybenzoyl)amino]methyl]benzimidazol-1-yl]acetate
CID 17008827
4-chloro-N-[[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17009109
N-[5-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]pentyl]-2,4-dimethylbenzamide
CID 16989724

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-methylbenzamide?
The IUPAC name of N-[[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-methylbenzamide (CID 17007228) is N-[[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-methylbenzamide.
What is the SMILES notation for N-[[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-methylbenzamide?
The canonical SMILES for N-[[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-methylbenzamide is CCCN(CCC)C(=O)Cn1c(CNC(=O)c2ccc(C)cc2)nc2ccccc21.
What is the InChIKey of N-[[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-methylbenzamide?
The InChIKey is SQHRANBCTZCWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-4-14-27(15-5-2)23(29)17-28-21-9-7-6-8-20(21)26-22(28)16-25-24(30)19-12-10-18(3)11-13-19/h6-13H,4-5,14-17H2,1-3H3,(H,25,30).
What are the key properties of N-[[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-methylbenzamide?
N-[[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-methylbenzamide has a molecular weight of 406.53 g/mol, XLogP of 3.92, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-methylbenzamide is sourced from PubChem (CID 17007228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).