4-(5-fluoro-1-methylbenzimidazol-2-yl)-3-methoxyaniline

C15H14FN3O — CID 107209073

IUPAC4-(5-fluoro-1-methylbenzimidazol-2-yl)-3-methoxyaniline
SMILESCOc1cc(N)ccc1-c1nc2cc(F)ccc2n1C
InChIInChI=1S/C15H14FN3O/c1-19-13-6-3-9(16)7-12(13)18-15(19)11-5-4-10(17)8-14(11)20-2/h3-8H,17H2,1-2H3
InChIKeyNTWIWWOXACCAQS-UHFFFAOYSA-N
MW271.30 g/mol
LogP2.97
Rot. Bonds2

About 4-(5-fluoro-1-methylbenzimidazol-2-yl)-3-methoxyaniline

4-(5-fluoro-1-methylbenzimidazol-2-yl)-3-methoxyaniline (PubChem CID 107209073) has the molecular formula C15H14FN3O and a molecular weight of 271.30 g/mol. Its IUPAC name is 4-(5-fluoro-1-methylbenzimidazol-2-yl)-3-methoxyaniline.

Molecular Properties

Compound Name4-(5-fluoro-1-methylbenzimidazol-2-yl)-3-methoxyaniline
PubChem CID107209073
Molecular FormulaC15H14FN3O
Molecular Weight271.30 g/mol
Exact Mass271.11
IUPAC Name4-(5-fluoro-1-methylbenzimidazol-2-yl)-3-methoxyaniline
SMILESCOc1cc(N)ccc1-c1nc2cc(F)ccc2n1C
InChIInChI=1S/C15H14FN3O/c1-19-13-6-3-9(16)7-12(13)18-15(19)11-5-4-10(17)8-14(11)20-2/h3-8H,17H2,1-2H3
InChIKeyNTWIWWOXACCAQS-UHFFFAOYSA-N
XLogP2.97
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-4-(1-methylbenzimidazol-2-yl)aniline
CID 82481745
2-(5-fluoro-1-methylbenzimidazol-2-yl)aniline
CID 60783742
4-(2,5-dimethyl-1,2,4-triazol-3-yl)-3-methoxyaniline
CID 82472146
5-(1-ethyl-5-fluorobenzimidazol-2-yl)-2-methoxyaniline
CID 63743435
2-amino-4-(5-fluoro-1-methylbenzimidazol-2-yl)phenol
CID 136872083
2-(1-ethyl-5-fluorobenzimidazol-2-yl)-5-fluoroaniline
CID 60784226
[2-(2,5-difluorophenyl)-1-methylbenzimidazol-5-yl]methanamine
CID 65040476
4-(5-fluoro-2-methoxyphenyl)-3-methylaniline
CID 54912636
4-(3-fluorophenyl)-3-methoxyaniline
CID 82106976
ethyl 5-fluoro-1-methylbenzimidazole-2-carboxylate
CID 63358168
1-(3,4-dimethoxyphenyl)-5-fluorobenzimidazol-2-amine
CID 43661963
5-fluoro-2-iodo-1-methylbenzimidazole
CID 68858262

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-1-methylbenzimidazol-2-yl)-3-methoxyaniline?
The IUPAC name of 4-(5-fluoro-1-methylbenzimidazol-2-yl)-3-methoxyaniline (CID 107209073) is 4-(5-fluoro-1-methylbenzimidazol-2-yl)-3-methoxyaniline.
What is the SMILES notation for 4-(5-fluoro-1-methylbenzimidazol-2-yl)-3-methoxyaniline?
The canonical SMILES for 4-(5-fluoro-1-methylbenzimidazol-2-yl)-3-methoxyaniline is COc1cc(N)ccc1-c1nc2cc(F)ccc2n1C.
What is the InChIKey of 4-(5-fluoro-1-methylbenzimidazol-2-yl)-3-methoxyaniline?
The InChIKey is NTWIWWOXACCAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O/c1-19-13-6-3-9(16)7-12(13)18-15(19)11-5-4-10(17)8-14(11)20-2/h3-8H,17H2,1-2H3.
What are the key properties of 4-(5-fluoro-1-methylbenzimidazol-2-yl)-3-methoxyaniline?
4-(5-fluoro-1-methylbenzimidazol-2-yl)-3-methoxyaniline has a molecular weight of 271.30 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-1-methylbenzimidazol-2-yl)-3-methoxyaniline is sourced from PubChem (CID 107209073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).