5-bromo-1-butyl-2-(2-methoxyethyl)benzimidazole

C14H19BrN2O — CID 22730799

IUPAC5-bromo-1-butyl-2-(2-methoxyethyl)benzimidazole
SMILESCCCCn1c(CCOC)nc2cc(Br)ccc21
InChIInChI=1S/C14H19BrN2O/c1-3-4-8-17-13-6-5-11(15)10-12(13)16-14(17)7-9-18-2/h5-6,10H,3-4,7-9H2,1-2H3
InChIKeyBKUHRJWQXIXQHV-UHFFFAOYSA-N
MW311.22 g/mol
LogP3.79
Rot. Bonds6

About 5-bromo-1-butyl-2-(2-methoxyethyl)benzimidazole

5-bromo-1-butyl-2-(2-methoxyethyl)benzimidazole (PubChem CID 22730799) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is 5-bromo-1-butyl-2-(2-methoxyethyl)benzimidazole.

Molecular Properties

Compound Name5-bromo-1-butyl-2-(2-methoxyethyl)benzimidazole
PubChem CID22730799
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name5-bromo-1-butyl-2-(2-methoxyethyl)benzimidazole
SMILESCCCCn1c(CCOC)nc2cc(Br)ccc21
InChIInChI=1S/C14H19BrN2O/c1-3-4-8-17-13-6-5-11(15)10-12(13)16-14(17)7-9-18-2/h5-6,10H,3-4,7-9H2,1-2H3
InChIKeyBKUHRJWQXIXQHV-UHFFFAOYSA-N
XLogP3.79
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(5-bromo-2-ethylbenzimidazol-1-yl)ethanamine
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5-bromo-2-(2-chloroethyl)-1-(2-ethylhexyl)benzimidazole
CID 107817166
(1-butyl-5-methoxybenzimidazol-2-yl)methanamine
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7-bromo-2-(2-methoxyethyl)-3-methylquinazolin-4-one
CID 58574265
4-(5-bromo-1-ethylbenzimidazol-2-yl)-2-methylbutan-2-amine
CID 62047954
3-(1-butyl-5-fluorobenzimidazol-2-yl)propan-1-ol
CID 82332280
5-bromo-2-(2-chloroethyl)-1-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazole
CID 63330507
3-[5-chloro-1-(3-methoxypropyl)benzimidazol-2-yl]propan-1-ol
CID 46308571
5-bromo-1-[(4-bromophenyl)methyl]-2-(2-chloroethyl)benzimidazole
CID 60780183
5-bromo-2-ethyl-1-methylbenzimidazole
CID 84701099

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-butyl-2-(2-methoxyethyl)benzimidazole?
The IUPAC name of 5-bromo-1-butyl-2-(2-methoxyethyl)benzimidazole (CID 22730799) is 5-bromo-1-butyl-2-(2-methoxyethyl)benzimidazole.
What is the SMILES notation for 5-bromo-1-butyl-2-(2-methoxyethyl)benzimidazole?
The canonical SMILES for 5-bromo-1-butyl-2-(2-methoxyethyl)benzimidazole is CCCCn1c(CCOC)nc2cc(Br)ccc21.
What is the InChIKey of 5-bromo-1-butyl-2-(2-methoxyethyl)benzimidazole?
The InChIKey is BKUHRJWQXIXQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-3-4-8-17-13-6-5-11(15)10-12(13)16-14(17)7-9-18-2/h5-6,10H,3-4,7-9H2,1-2H3.
What are the key properties of 5-bromo-1-butyl-2-(2-methoxyethyl)benzimidazole?
5-bromo-1-butyl-2-(2-methoxyethyl)benzimidazole has a molecular weight of 311.22 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-butyl-2-(2-methoxyethyl)benzimidazole is sourced from PubChem (CID 22730799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).