4-fluoro-N-(4-methoxyphenyl)-1H-benzimidazol-2-amine

C14H12FN3O — CID 137447098

IUPAC4-fluoro-N-(4-methoxyphenyl)-1H-benzimidazol-2-amine
SMILESCOc1ccc(Nc2nc3c(F)cccc3[nH]2)cc1
InChIInChI=1S/C14H12FN3O/c1-19-10-7-5-9(6-8-10)16-14-17-12-4-2-3-11(15)13(12)18-14/h2-8H,1H3,(H2,16,17,18)
InChIKeyPZMFAJVLKXDJCH-UHFFFAOYSA-N
MW257.27 g/mol
LogP3.45
Rot. Bonds3

About 4-fluoro-N-(4-methoxyphenyl)-1H-benzimidazol-2-amine

4-fluoro-N-(4-methoxyphenyl)-1H-benzimidazol-2-amine (PubChem CID 137447098) has the molecular formula C14H12FN3O and a molecular weight of 257.27 g/mol. Its IUPAC name is 4-fluoro-N-(4-methoxyphenyl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name4-fluoro-N-(4-methoxyphenyl)-1H-benzimidazol-2-amine
PubChem CID137447098
Molecular FormulaC14H12FN3O
Molecular Weight257.27 g/mol
Exact Mass257.10
IUPAC Name4-fluoro-N-(4-methoxyphenyl)-1H-benzimidazol-2-amine
SMILESCOc1ccc(Nc2nc3c(F)cccc3[nH]2)cc1
InChIInChI=1S/C14H12FN3O/c1-19-10-7-5-9(6-8-10)16-14-17-12-4-2-3-11(15)13(12)18-14/h2-8H,1H3,(H2,16,17,18)
InChIKeyPZMFAJVLKXDJCH-UHFFFAOYSA-N
XLogP3.45
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(4-methoxyphenyl)-1H-benzimidazol-2-amine?
The IUPAC name of 4-fluoro-N-(4-methoxyphenyl)-1H-benzimidazol-2-amine (CID 137447098) is 4-fluoro-N-(4-methoxyphenyl)-1H-benzimidazol-2-amine.
What is the SMILES notation for 4-fluoro-N-(4-methoxyphenyl)-1H-benzimidazol-2-amine?
The canonical SMILES for 4-fluoro-N-(4-methoxyphenyl)-1H-benzimidazol-2-amine is COc1ccc(Nc2nc3c(F)cccc3[nH]2)cc1.
What is the InChIKey of 4-fluoro-N-(4-methoxyphenyl)-1H-benzimidazol-2-amine?
The InChIKey is PZMFAJVLKXDJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O/c1-19-10-7-5-9(6-8-10)16-14-17-12-4-2-3-11(15)13(12)18-14/h2-8H,1H3,(H2,16,17,18).
What are the key properties of 4-fluoro-N-(4-methoxyphenyl)-1H-benzimidazol-2-amine?
4-fluoro-N-(4-methoxyphenyl)-1H-benzimidazol-2-amine has a molecular weight of 257.27 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(4-methoxyphenyl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 137447098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).