2-(4-fluoro-1-methylbenzimidazol-2-yl)aniline

C14H12FN3 — CID 60783997

IUPAC2-(4-fluoro-1-methylbenzimidazol-2-yl)aniline
SMILESCn1c(-c2ccccc2N)nc2c(F)cccc21
InChIInChI=1S/C14H12FN3/c1-18-12-8-4-6-10(15)13(12)17-14(18)9-5-2-3-7-11(9)16/h2-8H,16H2,1H3
InChIKeyGBOXHVUYLPAVFI-UHFFFAOYSA-N
MW241.27 g/mol
LogP2.96
Rot. Bonds1

About 2-(4-fluoro-1-methylbenzimidazol-2-yl)aniline

2-(4-fluoro-1-methylbenzimidazol-2-yl)aniline (PubChem CID 60783997) has the molecular formula C14H12FN3 and a molecular weight of 241.27 g/mol. Its IUPAC name is 2-(4-fluoro-1-methylbenzimidazol-2-yl)aniline.

Molecular Properties

Compound Name2-(4-fluoro-1-methylbenzimidazol-2-yl)aniline
PubChem CID60783997
Molecular FormulaC14H12FN3
Molecular Weight241.27 g/mol
Exact Mass241.10
IUPAC Name2-(4-fluoro-1-methylbenzimidazol-2-yl)aniline
SMILESCn1c(-c2ccccc2N)nc2c(F)cccc21
InChIInChI=1S/C14H12FN3/c1-18-12-8-4-6-10(15)13(12)17-14(18)9-5-2-3-7-11(9)16/h2-8H,16H2,1H3
InChIKeyGBOXHVUYLPAVFI-UHFFFAOYSA-N
XLogP2.96
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-fluoro-1-methylbenzimidazol-2-yl)pyrazin-2-amine
CID 63262129
2-(4-fluoro-1-methylbenzimidazol-2-yl)thiophen-3-amine
CID 60785385
2,4-dibromo-6-(4-fluoro-1-methylbenzimidazol-2-yl)aniline
CID 63111708
4-fluoro-1-methylbenzimidazol-2-amine
CID 60789590
2-(5-fluoro-1-methylbenzimidazol-2-yl)aniline
CID 60783742
3-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)-2-methylaniline
CID 62947060
4-(2-fluorophenyl)-1-methylbenzimidazol-2-amine
CID 152511992
2-(2-fluorophenyl)-1-propan-2-ylbenzimidazol-4-amine
CID 82067863
2-[4-(4-fluoro-1-methylbenzimidazol-2-yl)phenyl]ethanamine
CID 60784916
2-(2-bromo-3-fluorophenyl)-1-methylbenzimidazole-4-carbonitrile
CID 104720863
2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)-6-methylaniline
CID 60785236
3-chloro-2-(4-fluoro-1-propylbenzimidazol-2-yl)aniline
CID 63722756

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-1-methylbenzimidazol-2-yl)aniline?
The IUPAC name of 2-(4-fluoro-1-methylbenzimidazol-2-yl)aniline (CID 60783997) is 2-(4-fluoro-1-methylbenzimidazol-2-yl)aniline.
What is the SMILES notation for 2-(4-fluoro-1-methylbenzimidazol-2-yl)aniline?
The canonical SMILES for 2-(4-fluoro-1-methylbenzimidazol-2-yl)aniline is Cn1c(-c2ccccc2N)nc2c(F)cccc21.
What is the InChIKey of 2-(4-fluoro-1-methylbenzimidazol-2-yl)aniline?
The InChIKey is GBOXHVUYLPAVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3/c1-18-12-8-4-6-10(15)13(12)17-14(18)9-5-2-3-7-11(9)16/h2-8H,16H2,1H3.
What are the key properties of 2-(4-fluoro-1-methylbenzimidazol-2-yl)aniline?
2-(4-fluoro-1-methylbenzimidazol-2-yl)aniline has a molecular weight of 241.27 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-1-methylbenzimidazol-2-yl)aniline is sourced from PubChem (CID 60783997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).