3-bromo-N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide

C26H26BrN3O — CID 17010286

IUPAC3-bromo-N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
SMILESCC(C)c1ccc(Cn2c(C(C)NC(=O)c3cccc(Br)c3)nc3ccccc32)cc1
InChIInChI=1S/C26H26BrN3O/c1-17(2)20-13-11-19(12-14-20)16-30-24-10-5-4-9-23(24)29-25(30)18(3)28-26(31)21-7-6-8-22(27)15-21/h4-15,17-18H,16H2,1-3H3,(H,28,31)
InChIKeyAFXSTCFJFDCGEX-UHFFFAOYSA-N
MW476.42 g/mol
LogP6.46
Rot. Bonds6

About 3-bromo-N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide

3-bromo-N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide (PubChem CID 17010286) has the molecular formula C26H26BrN3O and a molecular weight of 476.42 g/mol. Its IUPAC name is 3-bromo-N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
PubChem CID17010286
Molecular FormulaC26H26BrN3O
Molecular Weight476.42 g/mol
Exact Mass475.13
IUPAC Name3-bromo-N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
SMILESCC(C)c1ccc(Cn2c(C(C)NC(=O)c3cccc(Br)c3)nc3ccccc32)cc1
InChIInChI=1S/C26H26BrN3O/c1-17(2)20-13-11-19(12-14-20)16-30-24-10-5-4-9-23(24)29-25(30)18(3)28-26(31)21-7-6-8-22(27)15-21/h4-15,17-18H,16H2,1-3H3,(H,28,31)
InChIKeyAFXSTCFJFDCGEX-UHFFFAOYSA-N
XLogP6.46
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.42
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[1-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 17010283
N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967343
3-methoxy-N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 17010126
3-bromo-N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 17010269
methyl 2-[2-[1-[(3-bromobenzoyl)amino]ethyl]benzimidazol-1-yl]acetate
CID 17010396
3-bromo-N-[1-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17010377
N-[1-(1-benzylbenzimidazol-2-yl)ethyl]-4-bromobenzamide
CID 17009321
N-[1-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]-4-chlorobenzamide
CID 17009493
3-bromo-N-[1-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17010378
3-bromo-N-[1-[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 17010328
N-[1-[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 16967041
N-[(1S)-1-(1-benzylbenzimidazol-2-yl)ethyl]-4-chlorobenzamide
CID 7007721

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide?
The IUPAC name of 3-bromo-N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide (CID 17010286) is 3-bromo-N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide.
What is the SMILES notation for 3-bromo-N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide?
The canonical SMILES for 3-bromo-N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide is CC(C)c1ccc(Cn2c(C(C)NC(=O)c3cccc(Br)c3)nc3ccccc32)cc1.
What is the InChIKey of 3-bromo-N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide?
The InChIKey is AFXSTCFJFDCGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26BrN3O/c1-17(2)20-13-11-19(12-14-20)16-30-24-10-5-4-9-23(24)29-25(30)18(3)28-26(31)21-7-6-8-22(27)15-21/h4-15,17-18H,16H2,1-3H3,(H,28,31).
What are the key properties of 3-bromo-N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide?
3-bromo-N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 476.42 g/mol, XLogP of 6.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 17010286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).