2-(6-bromo-2-cyclopropyl-3H-benzimidazol-5-yl)acetaldehyde

C12H11BrN2O — CID 83904629

IUPAC2-(6-bromo-2-cyclopropyl-3H-benzimidazol-5-yl)acetaldehyde
SMILESO=CCc1cc2[nH]c(C3CC3)nc2cc1Br
InChIInChI=1S/C12H11BrN2O/c13-9-6-11-10(5-8(9)3-4-16)14-12(15-11)7-1-2-7/h4-7H,1-3H2,(H,14,15)
InChIKeyWRVGHKRWFHPRPI-UHFFFAOYSA-N
MW279.14 g/mol
LogP2.94
Rot. Bonds3

About 2-(6-bromo-2-cyclopropyl-3H-benzimidazol-5-yl)acetaldehyde

2-(6-bromo-2-cyclopropyl-3H-benzimidazol-5-yl)acetaldehyde (PubChem CID 83904629) has the molecular formula C12H11BrN2O and a molecular weight of 279.14 g/mol. Its IUPAC name is 2-(6-bromo-2-cyclopropyl-3H-benzimidazol-5-yl)acetaldehyde.

Molecular Properties

Compound Name2-(6-bromo-2-cyclopropyl-3H-benzimidazol-5-yl)acetaldehyde
PubChem CID83904629
Molecular FormulaC12H11BrN2O
Molecular Weight279.14 g/mol
Exact Mass278.01
IUPAC Name2-(6-bromo-2-cyclopropyl-3H-benzimidazol-5-yl)acetaldehyde
SMILESO=CCc1cc2[nH]c(C3CC3)nc2cc1Br
InChIInChI=1S/C12H11BrN2O/c13-9-6-11-10(5-8(9)3-4-16)14-12(15-11)7-1-2-7/h4-7H,1-3H2,(H,14,15)
InChIKeyWRVGHKRWFHPRPI-UHFFFAOYSA-N
XLogP2.94
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.14
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-2-cyclopropyl-3H-imidazo[4,5-c]pyridine
CID 162381410
cis-(1S,3R)-3-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)cyclopentan-1-amine
CID 106322566
4-(2-cyclopropyl-3H-benzimidazol-5-yl)-4-oxobutanoic acid
CID 82052773
1-(6-chloro-2-cyclopropyl-1H-benzimidazol-5-yl)ethanone
CID 83896303
2-(6-chloro-2-methyl-3H-benzimidazol-5-yl)acetaldehyde
CID 83884153
5,6-dichloro-2-cycloheptyl-1H-benzimidazole
CID 82004587
5-bromo-6-fluoro-2-(thiolan-2-yl)-1H-benzimidazole
CID 79630755
6-bromo-2-(4-butylcyclohexyl)-1H-benzimidazole
CID 64722722
2-(6-bromo-2-methyl-3H-benzimidazol-5-yl)acetic acid
CID 83903030
3-(2-cyclopropyl-3H-benzimidazol-5-yl)-1,2-oxazole-5-carboxylic acid
CID 117426078
2-cyclooctyl-5,6-dimethoxy-1H-benzimidazole
CID 65023198
2-cyclohexylsulfanyl-1-(2-cyclopropyl-3H-benzimidazol-5-yl)ethanone
CID 82052807

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-2-cyclopropyl-3H-benzimidazol-5-yl)acetaldehyde?
The IUPAC name of 2-(6-bromo-2-cyclopropyl-3H-benzimidazol-5-yl)acetaldehyde (CID 83904629) is 2-(6-bromo-2-cyclopropyl-3H-benzimidazol-5-yl)acetaldehyde.
What is the SMILES notation for 2-(6-bromo-2-cyclopropyl-3H-benzimidazol-5-yl)acetaldehyde?
The canonical SMILES for 2-(6-bromo-2-cyclopropyl-3H-benzimidazol-5-yl)acetaldehyde is O=CCc1cc2[nH]c(C3CC3)nc2cc1Br.
What is the InChIKey of 2-(6-bromo-2-cyclopropyl-3H-benzimidazol-5-yl)acetaldehyde?
The InChIKey is WRVGHKRWFHPRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O/c13-9-6-11-10(5-8(9)3-4-16)14-12(15-11)7-1-2-7/h4-7H,1-3H2,(H,14,15).
What are the key properties of 2-(6-bromo-2-cyclopropyl-3H-benzimidazol-5-yl)acetaldehyde?
2-(6-bromo-2-cyclopropyl-3H-benzimidazol-5-yl)acetaldehyde has a molecular weight of 279.14 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-2-cyclopropyl-3H-benzimidazol-5-yl)acetaldehyde is sourced from PubChem (CID 83904629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).