2-(4-fluoro-1H-benzimidazol-2-yl)-6-methylaniline

C14H12FN3 — CID 60783667

IUPAC2-(4-fluoro-1H-benzimidazol-2-yl)-6-methylaniline
SMILESCc1cccc(-c2nc3c(F)cccc3[nH]2)c1N
InChIInChI=1S/C14H12FN3/c1-8-4-2-5-9(12(8)16)14-17-11-7-3-6-10(15)13(11)18-14/h2-7H,16H2,1H3,(H,17,18)
InChIKeyCKUIOOZLMGFSMV-UHFFFAOYSA-N
MW241.27 g/mol
LogP3.26
Rot. Bonds1

About 2-(4-fluoro-1H-benzimidazol-2-yl)-6-methylaniline

2-(4-fluoro-1H-benzimidazol-2-yl)-6-methylaniline (PubChem CID 60783667) has the molecular formula C14H12FN3 and a molecular weight of 241.27 g/mol. Its IUPAC name is 2-(4-fluoro-1H-benzimidazol-2-yl)-6-methylaniline.

Molecular Properties

Compound Name2-(4-fluoro-1H-benzimidazol-2-yl)-6-methylaniline
PubChem CID60783667
Molecular FormulaC14H12FN3
Molecular Weight241.27 g/mol
Exact Mass241.10
IUPAC Name2-(4-fluoro-1H-benzimidazol-2-yl)-6-methylaniline
SMILESCc1cccc(-c2nc3c(F)cccc3[nH]2)c1N
InChIInChI=1S/C14H12FN3/c1-8-4-2-5-9(12(8)16)14-17-11-7-3-6-10(15)13(11)18-14/h2-7H,16H2,1H3,(H,17,18)
InChIKeyCKUIOOZLMGFSMV-UHFFFAOYSA-N
XLogP3.26
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-fluoro-1H-benzimidazol-2-yl)-4,5-dimethylaniline
CID 63020703
2-(2,3-difluorophenyl)-4-methyl-1H-benzimidazole
CID 64724320
2-(2,3-difluorophenyl)-4-fluoro-1H-benzimidazole
CID 64723548
3-(4-fluoro-1H-benzimidazol-2-yl)-2-methylphenol
CID 82829916
4-(4-fluoro-1H-benzimidazol-2-yl)-2-methylaniline
CID 60784143
2-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-6-methylaniline
CID 79630922
4-fluoro-2-(2-iodophenyl)-1H-benzimidazole
CID 60979206
4-fluoro-2-(4-methylphenyl)-1H-benzimidazole
CID 60979204
2-(2,3-dichlorophenyl)-4-fluoro-1H-benzimidazole
CID 60977717
4-methyl-2-(2-methylphenyl)-1H-benzimidazole
CID 59018429
5-(4-fluoro-1H-benzimidazol-2-yl)quinoxaline
CID 104615382
2-(2-bromo-3-methylphenyl)-1H-benzimidazol-4-amine
CID 107982657

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-1H-benzimidazol-2-yl)-6-methylaniline?
The IUPAC name of 2-(4-fluoro-1H-benzimidazol-2-yl)-6-methylaniline (CID 60783667) is 2-(4-fluoro-1H-benzimidazol-2-yl)-6-methylaniline.
What is the SMILES notation for 2-(4-fluoro-1H-benzimidazol-2-yl)-6-methylaniline?
The canonical SMILES for 2-(4-fluoro-1H-benzimidazol-2-yl)-6-methylaniline is Cc1cccc(-c2nc3c(F)cccc3[nH]2)c1N.
What is the InChIKey of 2-(4-fluoro-1H-benzimidazol-2-yl)-6-methylaniline?
The InChIKey is CKUIOOZLMGFSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3/c1-8-4-2-5-9(12(8)16)14-17-11-7-3-6-10(15)13(11)18-14/h2-7H,16H2,1H3,(H,17,18).
What are the key properties of 2-(4-fluoro-1H-benzimidazol-2-yl)-6-methylaniline?
2-(4-fluoro-1H-benzimidazol-2-yl)-6-methylaniline has a molecular weight of 241.27 g/mol, XLogP of 3.26, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-1H-benzimidazol-2-yl)-6-methylaniline is sourced from PubChem (CID 60783667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).