7-chloro-1,5-dimethylbenzimidazole-2-carbaldehyde

C10H9ClN2O — CID 84621199

IUPAC7-chloro-1,5-dimethylbenzimidazole-2-carbaldehyde
SMILESCc1cc(Cl)c2c(c1)nc(C=O)n2C
InChIInChI=1S/C10H9ClN2O/c1-6-3-7(11)10-8(4-6)12-9(5-14)13(10)2/h3-5H,1-2H3
InChIKeyTXZFJAXDLMGHCR-UHFFFAOYSA-N
MW208.65 g/mol
LogP2.35
Rot. Bonds1

About 7-chloro-1,5-dimethylbenzimidazole-2-carbaldehyde

7-chloro-1,5-dimethylbenzimidazole-2-carbaldehyde (PubChem CID 84621199) has the molecular formula C10H9ClN2O and a molecular weight of 208.65 g/mol. Its IUPAC name is 7-chloro-1,5-dimethylbenzimidazole-2-carbaldehyde.

Molecular Properties

Compound Name7-chloro-1,5-dimethylbenzimidazole-2-carbaldehyde
PubChem CID84621199
Molecular FormulaC10H9ClN2O
Molecular Weight208.65 g/mol
Exact Mass208.04
IUPAC Name7-chloro-1,5-dimethylbenzimidazole-2-carbaldehyde
SMILESCc1cc(Cl)c2c(c1)nc(C=O)n2C
InChIInChI=1S/C10H9ClN2O/c1-6-3-7(11)10-8(4-6)12-9(5-14)13(10)2/h3-5H,1-2H3
InChIKeyTXZFJAXDLMGHCR-UHFFFAOYSA-N
XLogP2.35
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-1-methylbenzimidazole-2-carbaldehyde
CID 45078056
5-bromo-1,6-dimethylbenzimidazole-2-carbaldehyde
CID 141383403
7-chloro-5-fluoro-1-methyl-2-(trifluoromethyl)benzimidazole
CID 54058585
4-bromo-1,6-dimethylbenzimidazole-2-carbaldehyde
CID 84634849
methyl N-[[7-chloro-5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]methyl]-N-methylcarbamate
CID 162576359
9-methylpurine-8-carbaldehyde
CID 59036847
1-methyl-5-(trifluoromethyl)benzimidazole-2-carbaldehyde;hydrate
CID 135741274
6-chloro-2,3-dimethylbenzimidazole-5-carbaldehyde
CID 83884178
3-methylthieno[2,3-d]imidazole-2-carbaldehyde
CID 96633072
2-(7-bromo-1,5-dimethylbenzimidazol-2-yl)propan-2-amine
CID 84642998
(E)-3-(6-chloro-1,7-dimethylbenzimidazol-2-yl)prop-2-enoic acid
CID 84634044
7-chloro-1,5-dimethyl-2-pent-4-enylindole
CID 24854600

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1,5-dimethylbenzimidazole-2-carbaldehyde?
The IUPAC name of 7-chloro-1,5-dimethylbenzimidazole-2-carbaldehyde (CID 84621199) is 7-chloro-1,5-dimethylbenzimidazole-2-carbaldehyde.
What is the SMILES notation for 7-chloro-1,5-dimethylbenzimidazole-2-carbaldehyde?
The canonical SMILES for 7-chloro-1,5-dimethylbenzimidazole-2-carbaldehyde is Cc1cc(Cl)c2c(c1)nc(C=O)n2C.
What is the InChIKey of 7-chloro-1,5-dimethylbenzimidazole-2-carbaldehyde?
The InChIKey is TXZFJAXDLMGHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O/c1-6-3-7(11)10-8(4-6)12-9(5-14)13(10)2/h3-5H,1-2H3.
What are the key properties of 7-chloro-1,5-dimethylbenzimidazole-2-carbaldehyde?
7-chloro-1,5-dimethylbenzimidazole-2-carbaldehyde has a molecular weight of 208.65 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1,5-dimethylbenzimidazole-2-carbaldehyde is sourced from PubChem (CID 84621199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).