N-[2-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide

C25H32N4O2 — CID 16977702

IUPACN-[2-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
SMILESCCCN(CCC)C(=O)Cn1c(CCNC(=O)c2cccc(C)c2)nc2ccccc21
InChIInChI=1S/C25H32N4O2/c1-4-15-28(16-5-2)24(30)18-29-22-12-7-6-11-21(22)27-23(29)13-14-26-25(31)20-10-8-9-19(3)17-20/h6-12,17H,4-5,13-16,18H2,1-3H3,(H,26,31)
InChIKeyLLBBTFQFLBVVFB-UHFFFAOYSA-N
MW420.56 g/mol
LogP3.97
Rot. Bonds10

About N-[2-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide

N-[2-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide (PubChem CID 16977702) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is N-[2-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
PubChem CID16977702
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC NameN-[2-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
SMILESCCCN(CCC)C(=O)Cn1c(CCNC(=O)c2cccc(C)c2)nc2ccccc21
InChIInChI=1S/C25H32N4O2/c1-4-15-28(16-5-2)24(30)18-29-22-12-7-6-11-21(22)27-23(29)13-14-26-25(31)20-10-8-9-19(3)17-20/h6-12,17H,4-5,13-16,18H2,1-3H3,(H,26,31)
InChIKeyLLBBTFQFLBVVFB-UHFFFAOYSA-N
XLogP3.97
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[2-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977708
N-[2-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16964361
N-[2-[1-(2-amino-2-oxoethyl)benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 17030842
N-[2-[1-[2-(butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 17030796
N-[2-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 16977725
3-chloro-N-[2-[1-[2-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16978024
N-[5-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]pentyl]-2,4-dimethylbenzamide
CID 16989724
3-methyl-N-[2-[1-[2-(2-methylpropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17030797
N-[[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-methylbenzamide
CID 17007228
N-[3-[1-(2-amino-2-oxoethyl)benzimidazol-2-yl]propyl]-3-methylbenzamide
CID 17031577
N-[3-(1-heptylbenzimidazol-2-yl)propyl]-3-methylbenzamide
CID 16983150
N-[2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 16977611

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide?
The IUPAC name of N-[2-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide (CID 16977702) is N-[2-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide.
What is the SMILES notation for N-[2-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide?
The canonical SMILES for N-[2-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide is CCCN(CCC)C(=O)Cn1c(CCNC(=O)c2cccc(C)c2)nc2ccccc21.
What is the InChIKey of N-[2-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide?
The InChIKey is LLBBTFQFLBVVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2/c1-4-15-28(16-5-2)24(30)18-29-22-12-7-6-11-21(22)27-23(29)13-14-26-25(31)20-10-8-9-19(3)17-20/h6-12,17H,4-5,13-16,18H2,1-3H3,(H,26,31).
What are the key properties of N-[2-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide?
N-[2-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide has a molecular weight of 420.56 g/mol, XLogP of 3.97, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide is sourced from PubChem (CID 16977702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).