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

C24H29BrN4O2 — CID 17010378

IUPAC3-bromo-N-[1-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
SMILESCCCN(CCC)C(=O)Cn1c(C(C)NC(=O)c2cccc(Br)c2)nc2ccccc21
InChIInChI=1S/C24H29BrN4O2/c1-4-13-28(14-5-2)22(30)16-29-21-12-7-6-11-20(21)27-23(29)17(3)26-24(31)18-9-8-10-19(25)15-18/h6-12,15,17H,4-5,13-14,16H2,1-3H3,(H,26,31)
InChIKeyAXIPQAUSDBHDBJ-UHFFFAOYSA-N
MW485.43 g/mol
LogP4.94
Rot. Bonds9

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

3-bromo-N-[1-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide (PubChem CID 17010378) has the molecular formula C24H29BrN4O2 and a molecular weight of 485.43 g/mol. Its IUPAC name is 3-bromo-N-[1-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[1-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
PubChem CID17010378
Molecular FormulaC24H29BrN4O2
Molecular Weight485.43 g/mol
Exact Mass484.15
IUPAC Name3-bromo-N-[1-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
SMILESCCCN(CCC)C(=O)Cn1c(C(C)NC(=O)c2cccc(Br)c2)nc2ccccc21
InChIInChI=1S/C24H29BrN4O2/c1-4-13-28(14-5-2)22(30)16-29-21-12-7-6-11-20(21)27-23(29)17(3)26-24(31)18-9-8-10-19(25)15-18/h6-12,15,17H,4-5,13-14,16H2,1-3H3,(H,26,31)
InChIKeyAXIPQAUSDBHDBJ-UHFFFAOYSA-N
XLogP4.94
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.43
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-[1-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17010377
methyl 2-[2-[1-[(3-bromobenzoyl)amino]ethyl]benzimidazol-1-yl]acetate
CID 17010396
N-[1-[1-[2-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 16967131
N-[1-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide
CID 16967909
3-bromo-N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 17010269
3-bromo-N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 17010286
N-[1-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylprop-2-enamide
CID 16970232
3-bromo-N-[1-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 17010283
2-[2-(3-bromophenyl)benzimidazol-1-yl]-N,N-dipropylacetamide
CID 17001917
N-[1-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967438
3-bromo-N-[1-[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 17010328
N-[1-[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17029637

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[1-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide?
The IUPAC name of 3-bromo-N-[1-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide (CID 17010378) is 3-bromo-N-[1-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide.
What is the SMILES notation for 3-bromo-N-[1-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide?
The canonical SMILES for 3-bromo-N-[1-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide is CCCN(CCC)C(=O)Cn1c(C(C)NC(=O)c2cccc(Br)c2)nc2ccccc21.
What is the InChIKey of 3-bromo-N-[1-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide?
The InChIKey is AXIPQAUSDBHDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29BrN4O2/c1-4-13-28(14-5-2)22(30)16-29-21-12-7-6-11-20(21)27-23(29)17(3)26-24(31)18-9-8-10-19(25)15-18/h6-12,15,17H,4-5,13-14,16H2,1-3H3,(H,26,31).
What are the key properties of 3-bromo-N-[1-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide?
3-bromo-N-[1-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 485.43 g/mol, XLogP of 4.94, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[1-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 17010378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).