6-(2-fluoroethyl)-1H-benzimidazole-2-carbaldehyde

C10H9FN2O — CID 174870024

IUPAC6-(2-fluoroethyl)-1H-benzimidazole-2-carbaldehyde
SMILESO=Cc1nc2ccc(CCF)cc2[nH]1
InChIInChI=1S/C10H9FN2O/c11-4-3-7-1-2-8-9(5-7)13-10(6-14)12-8/h1-2,5-6H,3-4H2,(H,12,13)
InChIKeyDCCFNXSMTHFHPN-UHFFFAOYSA-N
MW192.19 g/mol
LogP1.89
Rot. Bonds3

About 6-(2-fluoroethyl)-1H-benzimidazole-2-carbaldehyde

6-(2-fluoroethyl)-1H-benzimidazole-2-carbaldehyde (PubChem CID 174870024) has the molecular formula C10H9FN2O and a molecular weight of 192.19 g/mol. Its IUPAC name is 6-(2-fluoroethyl)-1H-benzimidazole-2-carbaldehyde.

Molecular Properties

Compound Name6-(2-fluoroethyl)-1H-benzimidazole-2-carbaldehyde
PubChem CID174870024
Molecular FormulaC10H9FN2O
Molecular Weight192.19 g/mol
Exact Mass192.07
IUPAC Name6-(2-fluoroethyl)-1H-benzimidazole-2-carbaldehyde
SMILESO=Cc1nc2ccc(CCF)cc2[nH]1
InChIInChI=1S/C10H9FN2O/c11-4-3-7-1-2-8-9(5-7)13-10(6-14)12-8/h1-2,5-6H,3-4H2,(H,12,13)
InChIKeyDCCFNXSMTHFHPN-UHFFFAOYSA-N
XLogP1.89
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 51.89
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-formyl-3H-benzimidazole-5-carbonitrile
CID 72942417
2-formyl-3H-benzimidazole-5-carbonyl chloride
CID 130881700
2-[2-[(4-fluorophenyl)methyl]-3H-benzimidazol-5-yl]ethanamine
CID 82305556
6-(2-fluoroethyl)-1H-benzimidazole
CID 139795437
6-nonyl-2-(2-phenylethenyl)-1H-benzimidazole
CID 67635508
1H-benzimidazole-2-carbaldehyde;ethane;molecular hydrogen
CID 143522303
1,5-dihydropyrrolo[3,4-d]imidazole-2-carbaldehyde
CID 162810002
5-bromo-6-methyl-1H-benzimidazole-2-carbaldehyde
CID 131048969
6-(2-bromoethyl)-2-methyl-1H-benzimidazole;ethane
CID 90818369
N-ethyl-3-(2-ethyl-3H-benzimidazol-5-yl)propan-1-amine
CID 98783912
3-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]propan-1-amine
CID 82305555
(2-butyl-3H-benzimidazol-5-yl)methanamine
CID 79004472

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoroethyl)-1H-benzimidazole-2-carbaldehyde?
The IUPAC name of 6-(2-fluoroethyl)-1H-benzimidazole-2-carbaldehyde (CID 174870024) is 6-(2-fluoroethyl)-1H-benzimidazole-2-carbaldehyde.
What is the SMILES notation for 6-(2-fluoroethyl)-1H-benzimidazole-2-carbaldehyde?
The canonical SMILES for 6-(2-fluoroethyl)-1H-benzimidazole-2-carbaldehyde is O=Cc1nc2ccc(CCF)cc2[nH]1.
What is the InChIKey of 6-(2-fluoroethyl)-1H-benzimidazole-2-carbaldehyde?
The InChIKey is DCCFNXSMTHFHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O/c11-4-3-7-1-2-8-9(5-7)13-10(6-14)12-8/h1-2,5-6H,3-4H2,(H,12,13).
What are the key properties of 6-(2-fluoroethyl)-1H-benzimidazole-2-carbaldehyde?
6-(2-fluoroethyl)-1H-benzimidazole-2-carbaldehyde has a molecular weight of 192.19 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoroethyl)-1H-benzimidazole-2-carbaldehyde is sourced from PubChem (CID 174870024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).