3-bromo-N-[1-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide

C24H29BrN4O2 — CID 17010377

IUPAC3-bromo-N-[1-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
SMILESCC(NC(=O)c1cccc(Br)c1)c1nc2ccccc2n1CC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C24H29BrN4O2/c1-15(2)29(16(3)4)22(30)14-28-21-12-7-6-11-20(21)27-23(28)17(5)26-24(31)18-9-8-10-19(25)13-18/h6-13,15-17H,14H2,1-5H3,(H,26,31)
InChIKeyVIVNFZAAUIJGKH-UHFFFAOYSA-N
MW485.43 g/mol
LogP4.94
Rot. Bonds7

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

3-bromo-N-[1-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide (PubChem CID 17010377) has the molecular formula C24H29BrN4O2 and a molecular weight of 485.43 g/mol. Its IUPAC name is 3-bromo-N-[1-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[1-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
PubChem CID17010377
Molecular FormulaC24H29BrN4O2
Molecular Weight485.43 g/mol
Exact Mass484.15
IUPAC Name3-bromo-N-[1-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
SMILESCC(NC(=O)c1cccc(Br)c1)c1nc2ccccc2n1CC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C24H29BrN4O2/c1-15(2)29(16(3)4)22(30)14-28-21-12-7-6-11-20(21)27-23(28)17(5)26-24(31)18-9-8-10-19(25)13-18/h6-13,15-17H,14H2,1-5H3,(H,26,31)
InChIKeyVIVNFZAAUIJGKH-UHFFFAOYSA-N
XLogP4.94
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
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-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17010378
methyl 2-[2-[1-[(3-bromobenzoyl)amino]ethyl]benzimidazol-1-yl]acetate
CID 17010396
3-bromo-N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 17010286
3-bromo-N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 17010269
3-bromo-N-[1-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 17010283
N-[1-[1-[2-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 16967131
N-[1-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967438
2-[2-[1-[(2-methoxyacetyl)amino]ethyl]benzimidazol-1-yl]-N,N-di(propan-2-yl)acetamide
CID 16969282
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
N-[(1R)-1-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]-3-methylsulfanylpropyl]benzamide
CID 41123967
methyl 2-[2-[1-[(3-methylbenzoyl)amino]ethyl]benzimidazol-1-yl]acetate
CID 16967151

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[1-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide?
The IUPAC name of 3-bromo-N-[1-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide (CID 17010377) is 3-bromo-N-[1-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide.
What is the SMILES notation for 3-bromo-N-[1-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide?
The canonical SMILES for 3-bromo-N-[1-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide is CC(NC(=O)c1cccc(Br)c1)c1nc2ccccc2n1CC(=O)N(C(C)C)C(C)C.
What is the InChIKey of 3-bromo-N-[1-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide?
The InChIKey is VIVNFZAAUIJGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29BrN4O2/c1-15(2)29(16(3)4)22(30)14-28-21-12-7-6-11-20(21)27-23(28)17(5)26-24(31)18-9-8-10-19(25)13-18/h6-13,15-17H,14H2,1-5H3,(H,26,31).
What are the key properties of 3-bromo-N-[1-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide?
3-bromo-N-[1-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 485.43 g/mol, XLogP of 4.94, 7 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-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 17010377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).