4-bromo-N-[2-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide

C24H22BrN3O2 — CID 16977471

IUPAC4-bromo-N-[2-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
SMILESCOc1ccccc1Cn1c(CCNC(=O)c2ccc(Br)cc2)nc2ccccc21
InChIInChI=1S/C24H22BrN3O2/c1-30-22-9-5-2-6-18(22)16-28-21-8-4-3-7-20(21)27-23(28)14-15-26-24(29)17-10-12-19(25)13-11-17/h2-13H,14-16H2,1H3,(H,26,29)
InChIKeyOVZHAXPMMSVYDM-UHFFFAOYSA-N
MW464.36 g/mol
LogP4.83
Rot. Bonds7

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

4-bromo-N-[2-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide (PubChem CID 16977471) has the molecular formula C24H22BrN3O2 and a molecular weight of 464.36 g/mol. Its IUPAC name is 4-bromo-N-[2-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[2-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
PubChem CID16977471
Molecular FormulaC24H22BrN3O2
Molecular Weight464.36 g/mol
Exact Mass463.09
IUPAC Name4-bromo-N-[2-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
SMILESCOc1ccccc1Cn1c(CCNC(=O)c2ccc(Br)cc2)nc2ccccc21
InChIInChI=1S/C24H22BrN3O2/c1-30-22-9-5-2-6-18(22)16-28-21-8-4-3-7-20(21)27-23(28)14-15-26-24(29)17-10-12-19(25)13-11-17/h2-13H,14-16H2,1H3,(H,26,29)
InChIKeyOVZHAXPMMSVYDM-UHFFFAOYSA-N
XLogP4.83
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.36
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide
CID 16976701
4-methoxy-N-[5-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991253
N-[2-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 16975906
N-[2-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16975472
4-methoxy-N-[2-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]ethyl]benzamide
CID 16976708
4-bromo-N-[3-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]propyl]benzamide
CID 16984748
4-bromo-N-[2-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977457
4-bromo-N-[2-[1-(2-ethoxyethyl)benzimidazol-2-yl]ethyl]benzamide
CID 16977559
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-4-methoxybenzamide
CID 16976665
4-bromo-N-[2-[1-[2-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977560
4-bromo-N-[3-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide
CID 16984734
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 3237594

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide?
The IUPAC name of 4-bromo-N-[2-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide (CID 16977471) is 4-bromo-N-[2-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide.
What is the SMILES notation for 4-bromo-N-[2-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide?
The canonical SMILES for 4-bromo-N-[2-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide is COc1ccccc1Cn1c(CCNC(=O)c2ccc(Br)cc2)nc2ccccc21.
What is the InChIKey of 4-bromo-N-[2-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide?
The InChIKey is OVZHAXPMMSVYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22BrN3O2/c1-30-22-9-5-2-6-18(22)16-28-21-8-4-3-7-20(21)27-23(28)14-15-26-24(29)17-10-12-19(25)13-11-17/h2-13H,14-16H2,1H3,(H,26,29).
What are the key properties of 4-bromo-N-[2-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide?
4-bromo-N-[2-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 464.36 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 16977471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).