2-bromo-1-propylbenzimidazol-4-ol

C10H11BrN2O — CID 84804853

IUPAC2-bromo-1-propylbenzimidazol-4-ol
SMILESCCCn1c(Br)nc2c(O)cccc21
InChIInChI=1S/C10H11BrN2O/c1-2-6-13-7-4-3-5-8(14)9(7)12-10(13)11/h3-5,14H,2,6H2,1H3
InChIKeySCPNAOFPBIDAOX-UHFFFAOYSA-N
MW255.11 g/mol
LogP2.91
Rot. Bonds2

About 2-bromo-1-propylbenzimidazol-4-ol

2-bromo-1-propylbenzimidazol-4-ol (PubChem CID 84804853) has the molecular formula C10H11BrN2O and a molecular weight of 255.11 g/mol. Its IUPAC name is 2-bromo-1-propylbenzimidazol-4-ol.

Molecular Properties

Compound Name2-bromo-1-propylbenzimidazol-4-ol
PubChem CID84804853
Molecular FormulaC10H11BrN2O
Molecular Weight255.11 g/mol
Exact Mass254.01
IUPAC Name2-bromo-1-propylbenzimidazol-4-ol
SMILESCCCn1c(Br)nc2c(O)cccc21
InChIInChI=1S/C10H11BrN2O/c1-2-6-13-7-4-3-5-8(14)9(7)12-10(13)11/h3-5,14H,2,6H2,1H3
InChIKeySCPNAOFPBIDAOX-UHFFFAOYSA-N
XLogP2.91
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-ethylbenzimidazol-4-ol
CID 84767336
4-bromo-1-propylbenzimidazol-2-amine
CID 84804649
2-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]phenol
CID 80721603
5-fluoro-2-(4-fluoro-1-propylbenzimidazol-2-yl)phenol
CID 136789665
2-bromo-5-methyl-1-propylbenzimidazole
CID 84804393
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
4-bromo-1-butyl-2-chlorobenzimidazole
CID 164912104
2-tert-butyl-1-propylbenzimidazole-4-carboxylic acid
CID 113332177
2-pentan-3-yl-1-propylbenzimidazol-4-amine
CID 82067555
2-(2-chloroethyl)-4-ethoxy-1-propylbenzimidazole
CID 113393090
2-[(5-bromo-1-propylbenzimidazol-2-yl)methyl]phenol
CID 80723483

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-propylbenzimidazol-4-ol?
The IUPAC name of 2-bromo-1-propylbenzimidazol-4-ol (CID 84804853) is 2-bromo-1-propylbenzimidazol-4-ol.
What is the SMILES notation for 2-bromo-1-propylbenzimidazol-4-ol?
The canonical SMILES for 2-bromo-1-propylbenzimidazol-4-ol is CCCn1c(Br)nc2c(O)cccc21.
What is the InChIKey of 2-bromo-1-propylbenzimidazol-4-ol?
The InChIKey is SCPNAOFPBIDAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O/c1-2-6-13-7-4-3-5-8(14)9(7)12-10(13)11/h3-5,14H,2,6H2,1H3.
What are the key properties of 2-bromo-1-propylbenzimidazol-4-ol?
2-bromo-1-propylbenzimidazol-4-ol has a molecular weight of 255.11 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-propylbenzimidazol-4-ol is sourced from PubChem (CID 84804853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).