N-[3-[1-[2-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methylbenzamide

C24H30N4O2 — CID 16982471

IUPACN-[3-[1-[2-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methylbenzamide
SMILESCCN(CC)C(=O)Cn1c(CCCNC(=O)c2ccccc2C)nc2ccccc21
InChIInChI=1S/C24H30N4O2/c1-4-27(5-2)23(29)17-28-21-14-9-8-13-20(21)26-22(28)15-10-16-25-24(30)19-12-7-6-11-18(19)3/h6-9,11-14H,4-5,10,15-17H2,1-3H3,(H,25,30)
InChIKeyVBCSYOCYSQEIGW-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.58
Rot. Bonds9

About N-[3-[1-[2-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methylbenzamide

N-[3-[1-[2-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methylbenzamide (PubChem CID 16982471) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is N-[3-[1-[2-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[3-[1-[2-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methylbenzamide
PubChem CID16982471
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC NameN-[3-[1-[2-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methylbenzamide
SMILESCCN(CC)C(=O)Cn1c(CCCNC(=O)c2ccccc2C)nc2ccccc21
InChIInChI=1S/C24H30N4O2/c1-4-27(5-2)23(29)17-28-21-14-9-8-13-20(21)26-22(28)15-10-16-25-24(30)19-12-7-6-11-18(19)3/h6-9,11-14H,4-5,10,15-17H2,1-3H3,(H,25,30)
InChIKeyVBCSYOCYSQEIGW-UHFFFAOYSA-N
XLogP3.58
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 ≤ 53.58
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-[3-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methylbenzamide
CID 16982475
N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-methylbenzamide
CID 16982340
2-methyl-N-[5-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989568
N-[3-[1-[2-(3-ethoxypropylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methylbenzamide
CID 17031444
2-methyl-N-[3-[1-[2-(2-methylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide
CID 17031446
N-[2-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 16976021
N-[5-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]pentyl]-2,4-dimethylbenzamide
CID 16989724
ethyl 2-[2-[2-[(2-methylbenzoyl)amino]ethyl]benzimidazol-1-yl]acetate
CID 16976016
propan-2-yl 2-[2-[3-[(2-methylbenzoyl)amino]propyl]benzimidazol-1-yl]acetate
CID 16982493
N-[3-[1-[2-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-(4-methoxyphenyl)acetamide
CID 16985636
N-[3-[1-[2-(3,4-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methylbenzamide
CID 17031470
N-[3-[1-[2-(4-chloroanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methylbenzamide
CID 17031461

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[2-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methylbenzamide?
The IUPAC name of N-[3-[1-[2-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methylbenzamide (CID 16982471) is N-[3-[1-[2-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methylbenzamide.
What is the SMILES notation for N-[3-[1-[2-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methylbenzamide?
The canonical SMILES for N-[3-[1-[2-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methylbenzamide is CCN(CC)C(=O)Cn1c(CCCNC(=O)c2ccccc2C)nc2ccccc21.
What is the InChIKey of N-[3-[1-[2-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methylbenzamide?
The InChIKey is VBCSYOCYSQEIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-4-27(5-2)23(29)17-28-21-14-9-8-13-20(21)26-22(28)15-10-16-25-24(30)19-12-7-6-11-18(19)3/h6-9,11-14H,4-5,10,15-17H2,1-3H3,(H,25,30).
What are the key properties of N-[3-[1-[2-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methylbenzamide?
N-[3-[1-[2-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methylbenzamide has a molecular weight of 406.53 g/mol, XLogP of 3.58, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[2-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methylbenzamide is sourced from PubChem (CID 16982471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).