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

C24H22BrN3O2 — CID 17010283

IUPAC3-bromo-N-[1-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
SMILESCOc1ccc(Cn2c(C(C)NC(=O)c3cccc(Br)c3)nc3ccccc32)cc1
InChIInChI=1S/C24H22BrN3O2/c1-16(26-24(29)18-6-5-7-19(25)14-18)23-27-21-8-3-4-9-22(21)28(23)15-17-10-12-20(30-2)13-11-17/h3-14,16H,15H2,1-2H3,(H,26,29)
InChIKeyNLCRPSCFRMPJBY-UHFFFAOYSA-N
MW464.36 g/mol
LogP5.35
Rot. Bonds6

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

3-bromo-N-[1-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide (PubChem CID 17010283) has the molecular formula C24H22BrN3O2 and a molecular weight of 464.36 g/mol. Its IUPAC name is 3-bromo-N-[1-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[1-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
PubChem CID17010283
Molecular FormulaC24H22BrN3O2
Molecular Weight464.36 g/mol
Exact Mass463.09
IUPAC Name3-bromo-N-[1-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
SMILESCOc1ccc(Cn2c(C(C)NC(=O)c3cccc(Br)c3)nc3ccccc32)cc1
InChIInChI=1S/C24H22BrN3O2/c1-16(26-24(29)18-6-5-7-19(25)14-18)23-27-21-8-3-4-9-22(21)28(23)15-17-10-12-20(30-2)13-11-17/h3-14,16H,15H2,1-2H3,(H,26,29)
InChIKeyNLCRPSCFRMPJBY-UHFFFAOYSA-N
XLogP5.35
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.36
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 17010286
methyl 2-[2-[1-[(3-bromobenzoyl)amino]ethyl]benzimidazol-1-yl]acetate
CID 17010396
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
N-[1-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]ethyl]-2-methoxybenzamide
CID 16967966
N-[1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-methoxybenzamide
CID 17010116
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
3-methoxy-N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]benzamide
CID 17010214
N-[1-(1-heptylbenzimidazol-2-yl)ethyl]-3-methoxybenzamide
CID 17010098
3,4-dimethoxy-N-[1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009968
N-[1-(1-decylbenzimidazol-2-yl)ethyl]-3-methoxybenzamide
CID 17010101

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[1-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide?
The IUPAC name of 3-bromo-N-[1-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide (CID 17010283) is 3-bromo-N-[1-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide.
What is the SMILES notation for 3-bromo-N-[1-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide?
The canonical SMILES for 3-bromo-N-[1-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide is COc1ccc(Cn2c(C(C)NC(=O)c3cccc(Br)c3)nc3ccccc32)cc1.
What is the InChIKey of 3-bromo-N-[1-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide?
The InChIKey is NLCRPSCFRMPJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22BrN3O2/c1-16(26-24(29)18-6-5-7-19(25)14-18)23-27-21-8-3-4-9-22(21)28(23)15-17-10-12-20(30-2)13-11-17/h3-14,16H,15H2,1-2H3,(H,26,29).
What are the key properties of 3-bromo-N-[1-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide?
3-bromo-N-[1-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 464.36 g/mol, XLogP of 5.35, 6 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-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 17010283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).