3-bromo-N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide

C24H22BrN3O — CID 17010269

IUPAC3-bromo-N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
SMILESCc1ccccc1Cn1c(C(C)NC(=O)c2cccc(Br)c2)nc2ccccc21
InChIInChI=1S/C24H22BrN3O/c1-16-8-3-4-9-19(16)15-28-22-13-6-5-12-21(22)27-23(28)17(2)26-24(29)18-10-7-11-20(25)14-18/h3-14,17H,15H2,1-2H3,(H,26,29)
InChIKeyQTVHLLAYDKSONR-UHFFFAOYSA-N
MW448.36 g/mol
LogP5.65
Rot. Bonds5

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

3-bromo-N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide (PubChem CID 17010269) has the molecular formula C24H22BrN3O and a molecular weight of 448.36 g/mol. Its IUPAC name is 3-bromo-N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
PubChem CID17010269
Molecular FormulaC24H22BrN3O
Molecular Weight448.36 g/mol
Exact Mass447.09
IUPAC Name3-bromo-N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
SMILESCc1ccccc1Cn1c(C(C)NC(=O)c2cccc(Br)c2)nc2ccccc21
InChIInChI=1S/C24H22BrN3O/c1-16-8-3-4-9-19(16)15-28-22-13-6-5-12-21(22)27-23(28)17(2)26-24(29)18-10-7-11-20(25)14-18/h3-14,17H,15H2,1-2H3,(H,26,29)
InChIKeyQTVHLLAYDKSONR-UHFFFAOYSA-N
XLogP5.65
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.36
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967026
3-bromo-N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 17010286
3-bromo-N-[1-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 17010283
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
2-ethyl-N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]butanamide
CID 16969021
N-[1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 4754932
3-bromo-N-[1-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17010378
2-methyl-N-[1-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]ethyl]benzamide
CID 16967499
N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16619696
4-bromo-N-[1-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009330
N-[(1R)-1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 42100742

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide?
The IUPAC name of 3-bromo-N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide (CID 17010269) is 3-bromo-N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide.
What is the SMILES notation for 3-bromo-N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide?
The canonical SMILES for 3-bromo-N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide is Cc1ccccc1Cn1c(C(C)NC(=O)c2cccc(Br)c2)nc2ccccc21.
What is the InChIKey of 3-bromo-N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide?
The InChIKey is QTVHLLAYDKSONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22BrN3O/c1-16-8-3-4-9-19(16)15-28-22-13-6-5-12-21(22)27-23(28)17(2)26-24(29)18-10-7-11-20(25)14-18/h3-14,17H,15H2,1-2H3,(H,26,29).
What are the key properties of 3-bromo-N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide?
3-bromo-N-[1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 448.36 g/mol, XLogP of 5.65, 5 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-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 17010269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).