2-(4-fluorophenyl)-1-methylbenzimidazole-5-carbaldehyde

C15H11FN2O — CID 4915333

IUPAC2-(4-fluorophenyl)-1-methylbenzimidazole-5-carbaldehyde
SMILESCn1c(-c2ccc(F)cc2)nc2cc(C=O)ccc21
InChIInChI=1S/C15H11FN2O/c1-18-14-7-2-10(9-19)8-13(14)17-15(18)11-3-5-12(16)6-4-11/h2-9H,1H3
InChIKeyDKHGMQMTPGCEKG-UHFFFAOYSA-N
MW254.26 g/mol
LogP3.19
Rot. Bonds2

About 2-(4-fluorophenyl)-1-methylbenzimidazole-5-carbaldehyde

2-(4-fluorophenyl)-1-methylbenzimidazole-5-carbaldehyde (PubChem CID 4915333) has the molecular formula C15H11FN2O and a molecular weight of 254.26 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-methylbenzimidazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-methylbenzimidazole-5-carbaldehyde
PubChem CID4915333
Molecular FormulaC15H11FN2O
Molecular Weight254.26 g/mol
Exact Mass254.09
IUPAC Name2-(4-fluorophenyl)-1-methylbenzimidazole-5-carbaldehyde
SMILESCn1c(-c2ccc(F)cc2)nc2cc(C=O)ccc21
InChIInChI=1S/C15H11FN2O/c1-18-14-7-2-10(9-19)8-13(14)17-15(18)11-3-5-12(16)6-4-11/h2-9H,1H3
InChIKeyDKHGMQMTPGCEKG-UHFFFAOYSA-N
XLogP3.19
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 53.19
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

2-amino-4-(5-fluoro-1-methylbenzimidazol-2-yl)phenol
CID 136872083
2-methyl-1-phosphanylbenzimidazole-5-carbaldehyde
CID 89299613
1-methyl-2-[4-(1-methyl-5-nitrobenzimidazol-2-yl)phenyl]-5-nitrobenzimidazole
CID 138618315
2-(4-fluorophenyl)-3-methylbenzimidazole-5-carbonitrile
CID 104712543
N-[2-(4-fluorophenyl)-1-methylbenzimidazol-5-yl]-2-methoxybenzamide
CID 169245071
3-[1-methyl-2-(4-piperidin-4-ylphenyl)benzimidazol-5-yl]prop-2-enoic acid;dihydrobromide
CID 67845728
5-(5-fluoro-1-methylbenzimidazol-2-yl)pyridin-3-ol
CID 63850836
1-[1-butyl-2-(4-fluorophenyl)benzimidazol-5-yl]-N-methoxymethanimine
CID 4915477
4-[5-[(4-fluorophenyl)sulfonylamino]-1-methylbenzimidazol-2-yl]-N-methylbenzamide
CID 50825266
5-chloro-2-(3-fluorophenyl)-1-methylbenzimidazole
CID 47272714
2-(4-bromophenyl)-1-methylbenzimidazol-5-amine
CID 83969010
2-(4-fluorobenzene-6-id-1-yl)-1-methylbenzimidazole;2-(4-fluorophenyl)-1-methylbenzimidazole;iridium
CID 158045917

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-methylbenzimidazole-5-carbaldehyde?
The IUPAC name of 2-(4-fluorophenyl)-1-methylbenzimidazole-5-carbaldehyde (CID 4915333) is 2-(4-fluorophenyl)-1-methylbenzimidazole-5-carbaldehyde.
What is the SMILES notation for 2-(4-fluorophenyl)-1-methylbenzimidazole-5-carbaldehyde?
The canonical SMILES for 2-(4-fluorophenyl)-1-methylbenzimidazole-5-carbaldehyde is Cn1c(-c2ccc(F)cc2)nc2cc(C=O)ccc21.
What is the InChIKey of 2-(4-fluorophenyl)-1-methylbenzimidazole-5-carbaldehyde?
The InChIKey is DKHGMQMTPGCEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O/c1-18-14-7-2-10(9-19)8-13(14)17-15(18)11-3-5-12(16)6-4-11/h2-9H,1H3.
What are the key properties of 2-(4-fluorophenyl)-1-methylbenzimidazole-5-carbaldehyde?
2-(4-fluorophenyl)-1-methylbenzimidazole-5-carbaldehyde has a molecular weight of 254.26 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-methylbenzimidazole-5-carbaldehyde is sourced from PubChem (CID 4915333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).