N-[2-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide

C25H32N4O2 — CID 16976477

IUPACN-[2-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide
SMILESCCCCN(C)C(=O)Cn1c(CCNC(=O)c2ccc(C)cc2C)nc2ccccc21
InChIInChI=1S/C25H32N4O2/c1-5-6-15-28(4)24(30)17-29-22-10-8-7-9-21(22)27-23(29)13-14-26-25(31)20-12-11-18(2)16-19(20)3/h7-12,16H,5-6,13-15,17H2,1-4H3,(H,26,31)
InChIKeyLCEWVZPOWYVKEF-UHFFFAOYSA-N
MW420.56 g/mol
LogP3.88
Rot. Bonds9

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

N-[2-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide (PubChem CID 16976477) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is N-[2-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide
PubChem CID16976477
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC NameN-[2-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide
SMILESCCCCN(C)C(=O)Cn1c(CCNC(=O)c2ccc(C)cc2C)nc2ccccc21
InChIInChI=1S/C25H32N4O2/c1-5-6-15-28(4)24(30)17-29-22-10-8-7-9-21(22)27-23(29)13-14-26-25(31)20-12-11-18(2)16-19(20)3/h7-12,16H,5-6,13-15,17H2,1-4H3,(H,26,31)
InChIKeyLCEWVZPOWYVKEF-UHFFFAOYSA-N
XLogP3.88
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methoxybenzamide
CID 16976315
N-[5-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]pentyl]-2,4-dimethylbenzamide
CID 16989724
N-[2-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16979039
N-[2-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]butanamide
CID 16974512
N-[2-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide
CID 16974938
N-[2-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16975540
2,4-dimethyl-N-[3-(1-octylbenzimidazol-2-yl)propyl]benzamide
CID 16982516
N-[3-(1-hexylbenzimidazol-2-yl)propyl]-2,4-dimethylbenzamide
CID 16982514
2,4-dimethyl-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]benzamide
CID 16989608
N-[3-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-ethylbutanamide
CID 16981083
2,4-dimethyl-N-[3-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]propyl]benzamide
CID 16982506
N-[3-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methoxybenzamide
CID 16984220

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide?
The IUPAC name of N-[2-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide (CID 16976477) is N-[2-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide.
What is the SMILES notation for N-[2-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide?
The canonical SMILES for N-[2-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide is CCCCN(C)C(=O)Cn1c(CCNC(=O)c2ccc(C)cc2C)nc2ccccc21.
What is the InChIKey of N-[2-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide?
The InChIKey is LCEWVZPOWYVKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2/c1-5-6-15-28(4)24(30)17-29-22-10-8-7-9-21(22)27-23(29)13-14-26-25(31)20-12-11-18(2)16-19(20)3/h7-12,16H,5-6,13-15,17H2,1-4H3,(H,26,31).
What are the key properties of N-[2-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide?
N-[2-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide has a molecular weight of 420.56 g/mol, XLogP of 3.88, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide is sourced from PubChem (CID 16976477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).