2-(6-chloro-2-methyl-3H-benzimidazol-5-yl)acetaldehyde

C10H9ClN2O — CID 83884153

IUPAC2-(6-chloro-2-methyl-3H-benzimidazol-5-yl)acetaldehyde
SMILESCc1nc2cc(Cl)c(CC=O)cc2[nH]1
InChIInChI=1S/C10H9ClN2O/c1-6-12-9-4-7(2-3-14)8(11)5-10(9)13-6/h3-5H,2H2,1H3,(H,12,13)
InChIKeyXCOXEYWVHYLJDQ-UHFFFAOYSA-N
MW208.65 g/mol
LogP2.27
Rot. Bonds2

About 2-(6-chloro-2-methyl-3H-benzimidazol-5-yl)acetaldehyde

2-(6-chloro-2-methyl-3H-benzimidazol-5-yl)acetaldehyde (PubChem CID 83884153) has the molecular formula C10H9ClN2O and a molecular weight of 208.65 g/mol. Its IUPAC name is 2-(6-chloro-2-methyl-3H-benzimidazol-5-yl)acetaldehyde.

Molecular Properties

Compound Name2-(6-chloro-2-methyl-3H-benzimidazol-5-yl)acetaldehyde
PubChem CID83884153
Molecular FormulaC10H9ClN2O
Molecular Weight208.65 g/mol
Exact Mass208.04
IUPAC Name2-(6-chloro-2-methyl-3H-benzimidazol-5-yl)acetaldehyde
SMILESCc1nc2cc(Cl)c(CC=O)cc2[nH]1
InChIInChI=1S/C10H9ClN2O/c1-6-12-9-4-7(2-3-14)8(11)5-10(9)13-6/h3-5H,2H2,1H3,(H,12,13)
InChIKeyXCOXEYWVHYLJDQ-UHFFFAOYSA-N
XLogP2.27
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 52.27
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-chloro-2-methyl-1H-benzimidazole-5-carbaldehyde
CID 10081355
6-chloro-5-iodo-2-methyl-1H-benzimidazole
CID 152925781
(6-fluoro-2-methyl-3H-benzimidazol-5-yl)methanamine
CID 149051203
2-(2-methyl-1H-benzimidazol-4-yl)acetaldehyde
CID 83874207
2-amino-2-(6-chloro-2-methyl-3H-benzimidazol-5-yl)ethanol
CID 83892414
2-(6-bromo-2-methyl-3H-benzimidazol-5-yl)acetic acid
CID 83903030
N-[(2,4-dichlorophenyl)methyl]-2-methyl-3H-benzimidazol-5-amine
CID 43746405
2-(6-bromo-2-cyclopropyl-3H-benzimidazol-5-yl)acetaldehyde
CID 83904629
5,6-dichloro-2-[2-(4-methylphenyl)ethyl]-1H-benzimidazole
CID 39158463
5,6-dichloro-2-(2-ethylphenyl)-1H-benzimidazole
CID 82003787
N-[2-methyl-2-(2-methyl-3H-benzimidazol-5-yl)propyl]formamide
CID 19840426
2-methyl-3H-furo[3,4-f]benzimidazole-5,7-dione
CID 54348365

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-methyl-3H-benzimidazol-5-yl)acetaldehyde?
The IUPAC name of 2-(6-chloro-2-methyl-3H-benzimidazol-5-yl)acetaldehyde (CID 83884153) is 2-(6-chloro-2-methyl-3H-benzimidazol-5-yl)acetaldehyde.
What is the SMILES notation for 2-(6-chloro-2-methyl-3H-benzimidazol-5-yl)acetaldehyde?
The canonical SMILES for 2-(6-chloro-2-methyl-3H-benzimidazol-5-yl)acetaldehyde is Cc1nc2cc(Cl)c(CC=O)cc2[nH]1.
What is the InChIKey of 2-(6-chloro-2-methyl-3H-benzimidazol-5-yl)acetaldehyde?
The InChIKey is XCOXEYWVHYLJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O/c1-6-12-9-4-7(2-3-14)8(11)5-10(9)13-6/h3-5H,2H2,1H3,(H,12,13).
What are the key properties of 2-(6-chloro-2-methyl-3H-benzimidazol-5-yl)acetaldehyde?
2-(6-chloro-2-methyl-3H-benzimidazol-5-yl)acetaldehyde has a molecular weight of 208.65 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-methyl-3H-benzimidazol-5-yl)acetaldehyde is sourced from PubChem (CID 83884153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).