2-(4-bromo-2-propoxyphenyl)-1H-benzimidazole

C16H15BrN2O — CID 168554331

IUPAC2-(4-bromo-2-propoxyphenyl)-1H-benzimidazole
SMILESCCCOc1cc(Br)ccc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C16H15BrN2O/c1-2-9-20-15-10-11(17)7-8-12(15)16-18-13-5-3-4-6-14(13)19-16/h3-8,10H,2,9H2,1H3,(H,18,19)
InChIKeyZRFHMYFDWBURGG-UHFFFAOYSA-N
MW331.21 g/mol
LogP4.78
Rot. Bonds4

About 2-(4-bromo-2-propoxyphenyl)-1H-benzimidazole

2-(4-bromo-2-propoxyphenyl)-1H-benzimidazole (PubChem CID 168554331) has the molecular formula C16H15BrN2O and a molecular weight of 331.21 g/mol. Its IUPAC name is 2-(4-bromo-2-propoxyphenyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(4-bromo-2-propoxyphenyl)-1H-benzimidazole
PubChem CID168554331
Molecular FormulaC16H15BrN2O
Molecular Weight331.21 g/mol
Exact Mass330.04
IUPAC Name2-(4-bromo-2-propoxyphenyl)-1H-benzimidazole
SMILESCCCOc1cc(Br)ccc1-c1nc2ccccc2[nH]1
InChIInChI=1S/C16H15BrN2O/c1-2-9-20-15-10-11(17)7-8-12(15)16-18-13-5-3-4-6-14(13)19-16/h3-8,10H,2,9H2,1H3,(H,18,19)
InChIKeyZRFHMYFDWBURGG-UHFFFAOYSA-N
XLogP4.78
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-bromo-2-propoxyphenyl)-1H-benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-methyl-4-propoxyphenyl)-1H-benzimidazole
CID 168553695
ethyl 3-[2-(1H-benzimidazol-2-yl)-4-bromophenoxy]propanoate
CID 168554937
ethyl 4-[2-(1H-benzimidazol-2-yl)-4-bromophenoxy]butanoate
CID 168554935
2-[2-[5-[2-(1H-benzimidazol-2-yl)phenoxy]pentoxy]phenyl]-1H-benzimidazole
CID 25255578
2-(4-methyl-3-propoxyphenyl)-1H-benzimidazole
CID 168553903
2-(4-methoxy-3-propoxyphenyl)-1H-benzimidazole
CID 110539403
methyl 2-[2-(1H-benzimidazol-2-yl)-4-bromophenoxy]acetate
CID 168554534
2-[2-(3-methylbutoxy)phenyl]-1H-benzimidazole
CID 168554417
3-[2-(1H-benzimidazol-2-yl)phenoxy]-N,N-dimethylpropan-1-amine
CID 168554276
2-(5-bromo-2-ethoxy-3-iodophenyl)-1H-benzimidazole
CID 168555083
2-[2-butoxy-5-(4-methylphenyl)phenyl]-1H-benzimidazole
CID 168554882
2-(4-methylsulfanyl-2-propoxyphenyl)-3H-imidazo[4,5-c]pyridine
CID 13450837

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-propoxyphenyl)-1H-benzimidazole?
The IUPAC name of 2-(4-bromo-2-propoxyphenyl)-1H-benzimidazole (CID 168554331) is 2-(4-bromo-2-propoxyphenyl)-1H-benzimidazole.
What is the SMILES notation for 2-(4-bromo-2-propoxyphenyl)-1H-benzimidazole?
The canonical SMILES for 2-(4-bromo-2-propoxyphenyl)-1H-benzimidazole is CCCOc1cc(Br)ccc1-c1nc2ccccc2[nH]1.
What is the InChIKey of 2-(4-bromo-2-propoxyphenyl)-1H-benzimidazole?
The InChIKey is ZRFHMYFDWBURGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O/c1-2-9-20-15-10-11(17)7-8-12(15)16-18-13-5-3-4-6-14(13)19-16/h3-8,10H,2,9H2,1H3,(H,18,19).
What are the key properties of 2-(4-bromo-2-propoxyphenyl)-1H-benzimidazole?
2-(4-bromo-2-propoxyphenyl)-1H-benzimidazole has a molecular weight of 331.21 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-propoxyphenyl)-1H-benzimidazole is sourced from PubChem (CID 168554331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).