3-bromo-2-hydroxy-5-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide

C19H20BrN3O2 — CID 51122866

IUPAC3-bromo-2-hydroxy-5-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide
SMILESCc1cc(Br)c(O)c(C(=O)NCCCn2c(C)nc3ccccc32)c1
InChIInChI=1S/C19H20BrN3O2/c1-12-10-14(18(24)15(20)11-12)19(25)21-8-5-9-23-13(2)22-16-6-3-4-7-17(16)23/h3-4,6-7,10-11,24H,5,8-9H2,1-2H3,(H,21,25)
InChIKeyCELLCGHTIWOQRF-UHFFFAOYSA-N
MW402.29 g/mol
LogP3.94
Rot. Bonds5

About 3-bromo-2-hydroxy-5-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide

3-bromo-2-hydroxy-5-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide (PubChem CID 51122866) has the molecular formula C19H20BrN3O2 and a molecular weight of 402.29 g/mol. Its IUPAC name is 3-bromo-2-hydroxy-5-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide.

Molecular Properties

Compound Name3-bromo-2-hydroxy-5-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide
PubChem CID51122866
Molecular FormulaC19H20BrN3O2
Molecular Weight402.29 g/mol
Exact Mass401.07
IUPAC Name3-bromo-2-hydroxy-5-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide
SMILESCc1cc(Br)c(O)c(C(=O)NCCCn2c(C)nc3ccccc32)c1
InChIInChI=1S/C19H20BrN3O2/c1-12-10-14(18(24)15(20)11-12)19(25)21-8-5-9-23-13(2)22-16-6-3-4-7-17(16)23/h3-4,6-7,10-11,24H,5,8-9H2,1-2H3,(H,21,25)
InChIKeyCELLCGHTIWOQRF-UHFFFAOYSA-N
XLogP3.94
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.29
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-oxochromene-3-carboxamide
CID 46514997
2-hydroxy-4-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide
CID 31848598
1-benzyl-2,5-dimethyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]pyrrole-3-carboxamide
CID 55451237
3-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]-1,2-oxazole-5-carboxamide
CID 46519962
2-(2-bromo-4-methylphenoxy)-N-[3-(2-methylbenzimidazol-1-yl)propyl]propanamide
CID 55794081
4,5-dichloro-N-[3-(2-methylbenzimidazol-1-yl)propyl]-1H-pyrrole-2-carboxamide
CID 78839389
2-cyclopropyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]quinoline-4-carboxamide
CID 134036923
2-chloro-6-fluoro-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide
CID 110292027
3-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-nitrobenzamide
CID 46514864
2-amino-5-fluoro-N-[3-(2-methylbenzimidazol-1-yl)propyl]-3-nitrobenzamide
CID 55966723
4-acetamido-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide
CID 134036907
2-(methylamino)-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide;hydrochloride
CID 120703538

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-hydroxy-5-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide?
The IUPAC name of 3-bromo-2-hydroxy-5-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide (CID 51122866) is 3-bromo-2-hydroxy-5-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide.
What is the SMILES notation for 3-bromo-2-hydroxy-5-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide?
The canonical SMILES for 3-bromo-2-hydroxy-5-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide is Cc1cc(Br)c(O)c(C(=O)NCCCn2c(C)nc3ccccc32)c1.
What is the InChIKey of 3-bromo-2-hydroxy-5-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide?
The InChIKey is CELLCGHTIWOQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN3O2/c1-12-10-14(18(24)15(20)11-12)19(25)21-8-5-9-23-13(2)22-16-6-3-4-7-17(16)23/h3-4,6-7,10-11,24H,5,8-9H2,1-2H3,(H,21,25).
What are the key properties of 3-bromo-2-hydroxy-5-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide?
3-bromo-2-hydroxy-5-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide has a molecular weight of 402.29 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-hydroxy-5-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide is sourced from PubChem (CID 51122866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).