2-(2-methyl-1H-benzimidazol-4-yl)acetaldehyde

C10H10N2O — CID 83874207

IUPAC2-(2-methyl-1H-benzimidazol-4-yl)acetaldehyde
SMILESCc1nc2c(CC=O)cccc2[nH]1
InChIInChI=1S/C10H10N2O/c1-7-11-9-4-2-3-8(5-6-13)10(9)12-7/h2-4,6H,5H2,1H3,(H,11,12)
InChIKeyRQNLHVVRIFQLMA-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.61
Rot. Bonds2

About 2-(2-methyl-1H-benzimidazol-4-yl)acetaldehyde

2-(2-methyl-1H-benzimidazol-4-yl)acetaldehyde (PubChem CID 83874207) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 2-(2-methyl-1H-benzimidazol-4-yl)acetaldehyde.

Molecular Properties

Compound Name2-(2-methyl-1H-benzimidazol-4-yl)acetaldehyde
PubChem CID83874207
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name2-(2-methyl-1H-benzimidazol-4-yl)acetaldehyde
SMILESCc1nc2c(CC=O)cccc2[nH]1
InChIInChI=1S/C10H10N2O/c1-7-11-9-4-2-3-8(5-6-13)10(9)12-7/h2-4,6H,5H2,1H3,(H,11,12)
InChIKeyRQNLHVVRIFQLMA-UHFFFAOYSA-N
XLogP1.61
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.61
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

2-methyl-1H-benzimidazole-4-carbaldehyde;dihydrochloride
CID 174788493
(2-methyl-1H-benzimidazol-4-yl)methyl acetate
CID 58897321
4-[(2-chlorophenyl)methyl]-2-methyl-1H-benzimidazole
CID 140992503
2-methyl-3-(2-methyl-1H-benzimidazol-4-yl)propan-1-amine
CID 83881603
butanedioic acid;2,4-dimethyl-1H-benzimidazole
CID 159349051
2-methyl-4-pent-4-ynyl-1H-benzimidazole
CID 56689364
2-(2H-benzotriazol-4-yl)acetaldehyde
CID 22406141
2-(6-chloro-2-methyl-3H-benzimidazol-5-yl)acetaldehyde
CID 83884153
ethyl 2-methyl-1H-benzimidazole-4-carboxylate
CID 18680979
4-prop-2-enyl-1H-benzimidazol-2-amine
CID 66897302
4-(disulfanyl)-2-methyl-1H-benzimidazole
CID 126612674
2-methyl-4-methylsulfanyl-1H-benzimidazole;zinc
CID 174200783

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1H-benzimidazol-4-yl)acetaldehyde?
The IUPAC name of 2-(2-methyl-1H-benzimidazol-4-yl)acetaldehyde (CID 83874207) is 2-(2-methyl-1H-benzimidazol-4-yl)acetaldehyde.
What is the SMILES notation for 2-(2-methyl-1H-benzimidazol-4-yl)acetaldehyde?
The canonical SMILES for 2-(2-methyl-1H-benzimidazol-4-yl)acetaldehyde is Cc1nc2c(CC=O)cccc2[nH]1.
What is the InChIKey of 2-(2-methyl-1H-benzimidazol-4-yl)acetaldehyde?
The InChIKey is RQNLHVVRIFQLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-7-11-9-4-2-3-8(5-6-13)10(9)12-7/h2-4,6H,5H2,1H3,(H,11,12).
What are the key properties of 2-(2-methyl-1H-benzimidazol-4-yl)acetaldehyde?
2-(2-methyl-1H-benzimidazol-4-yl)acetaldehyde has a molecular weight of 174.20 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1H-benzimidazol-4-yl)acetaldehyde is sourced from PubChem (CID 83874207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).