2-[(5-bromo-1-propylbenzimidazol-2-yl)methyl]phenol

C17H17BrN2O — CID 80723483

IUPAC2-[(5-bromo-1-propylbenzimidazol-2-yl)methyl]phenol
SMILESCCCn1c(Cc2ccccc2O)nc2cc(Br)ccc21
InChIInChI=1S/C17H17BrN2O/c1-2-9-20-15-8-7-13(18)11-14(15)19-17(20)10-12-5-3-4-6-16(12)21/h3-8,11,21H,2,9-10H2,1H3
InChIKeyJBHLYEHZPNCSJN-UHFFFAOYSA-N
MW345.24 g/mol
LogP4.51
Rot. Bonds4

About 2-[(5-bromo-1-propylbenzimidazol-2-yl)methyl]phenol

2-[(5-bromo-1-propylbenzimidazol-2-yl)methyl]phenol (PubChem CID 80723483) has the molecular formula C17H17BrN2O and a molecular weight of 345.24 g/mol. Its IUPAC name is 2-[(5-bromo-1-propylbenzimidazol-2-yl)methyl]phenol.

Molecular Properties

Compound Name2-[(5-bromo-1-propylbenzimidazol-2-yl)methyl]phenol
PubChem CID80723483
Molecular FormulaC17H17BrN2O
Molecular Weight345.24 g/mol
Exact Mass344.05
IUPAC Name2-[(5-bromo-1-propylbenzimidazol-2-yl)methyl]phenol
SMILESCCCn1c(Cc2ccccc2O)nc2cc(Br)ccc21
InChIInChI=1S/C17H17BrN2O/c1-2-9-20-15-8-7-13(18)11-14(15)19-17(20)10-12-5-3-4-6-16(12)21/h3-8,11,21H,2,9-10H2,1H3
InChIKeyJBHLYEHZPNCSJN-UHFFFAOYSA-N
XLogP4.51
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]phenol
CID 80723234
2-(5-bromo-1-propylbenzimidazol-2-yl)benzene-1,3-diol
CID 136813268
3-(5-bromo-1-propylbenzimidazol-2-yl)benzene-1,2-diol
CID 136928249
1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole
CID 102471082
N-[(5-bromo-1-propylbenzimidazol-2-yl)methyl]butan-2-amine
CID 60835708
2-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]phenol
CID 80721603
5-bromo-2-(chloromethyl)-1-[2-(2-methylphenyl)ethyl]benzimidazole
CID 79754736
2-(5-bromo-2-ethylbenzimidazol-1-yl)ethanamine
CID 84808266
3-(5-bromo-2-ethylbenzimidazol-1-yl)propanoic acid
CID 84815767
5-bromo-1,2-bis(2,2-dimethylpropyl)benzimidazole
CID 90864285
[5-bromo-1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]methanol
CID 82332822
5-bromo-2-ethyl-1-methylbenzimidazole
CID 84701099

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-1-propylbenzimidazol-2-yl)methyl]phenol?
The IUPAC name of 2-[(5-bromo-1-propylbenzimidazol-2-yl)methyl]phenol (CID 80723483) is 2-[(5-bromo-1-propylbenzimidazol-2-yl)methyl]phenol.
What is the SMILES notation for 2-[(5-bromo-1-propylbenzimidazol-2-yl)methyl]phenol?
The canonical SMILES for 2-[(5-bromo-1-propylbenzimidazol-2-yl)methyl]phenol is CCCn1c(Cc2ccccc2O)nc2cc(Br)ccc21.
What is the InChIKey of 2-[(5-bromo-1-propylbenzimidazol-2-yl)methyl]phenol?
The InChIKey is JBHLYEHZPNCSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O/c1-2-9-20-15-8-7-13(18)11-14(15)19-17(20)10-12-5-3-4-6-16(12)21/h3-8,11,21H,2,9-10H2,1H3.
What are the key properties of 2-[(5-bromo-1-propylbenzimidazol-2-yl)methyl]phenol?
2-[(5-bromo-1-propylbenzimidazol-2-yl)methyl]phenol has a molecular weight of 345.24 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-1-propylbenzimidazol-2-yl)methyl]phenol is sourced from PubChem (CID 80723483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).