2-(3-fluorophenyl)-1-[6-(2-methoxy-4-pyridinyl)-1H-benzimidazol-2-yl]ethanamine

C21H19FN4O — CID 77219863

IUPAC2-(3-fluorophenyl)-1-[6-(2-methoxy-4-pyridinyl)-1H-benzimidazol-2-yl]ethanamine
SMILESCOc1cc(-c2ccc3nc(C(N)Cc4cccc(F)c4)[nH]c3c2)ccn1
InChIInChI=1S/C21H19FN4O/c1-27-20-12-15(7-8-24-20)14-5-6-18-19(11-14)26-21(25-18)17(23)10-13-3-2-4-16(22)9-13/h2-9,11-12,17H,10,23H2,1H3,(H,25,26)
InChIKeyUCVRTVQUUXBHSQ-UHFFFAOYSA-N
MW362.41 g/mol
LogP4.02
Rot. Bonds5

About 2-(3-fluorophenyl)-1-[6-(2-methoxy-4-pyridinyl)-1H-benzimidazol-2-yl]ethanamine

2-(3-fluorophenyl)-1-[6-(2-methoxy-4-pyridinyl)-1H-benzimidazol-2-yl]ethanamine (PubChem CID 77219863) has the molecular formula C21H19FN4O and a molecular weight of 362.41 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-[6-(2-methoxy-4-pyridinyl)-1H-benzimidazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-[6-(2-methoxy-4-pyridinyl)-1H-benzimidazol-2-yl]ethanamine
PubChem CID77219863
Molecular FormulaC21H19FN4O
Molecular Weight362.41 g/mol
Exact Mass362.15
IUPAC Name2-(3-fluorophenyl)-1-[6-(2-methoxy-4-pyridinyl)-1H-benzimidazol-2-yl]ethanamine
SMILESCOc1cc(-c2ccc3nc(C(N)Cc4cccc(F)c4)[nH]c3c2)ccn1
InChIInChI=1S/C21H19FN4O/c1-27-20-12-15(7-8-24-20)14-5-6-18-19(11-14)26-21(25-18)17(23)10-13-3-2-4-16(22)9-13/h2-9,11-12,17H,10,23H2,1H3,(H,25,26)
InChIKeyUCVRTVQUUXBHSQ-UHFFFAOYSA-N
XLogP4.02
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-[6-(2-methoxy-4-pyridinyl)-1H-benzimidazol-2-yl]ethanamine?
The IUPAC name of 2-(3-fluorophenyl)-1-[6-(2-methoxy-4-pyridinyl)-1H-benzimidazol-2-yl]ethanamine (CID 77219863) is 2-(3-fluorophenyl)-1-[6-(2-methoxy-4-pyridinyl)-1H-benzimidazol-2-yl]ethanamine.
What is the SMILES notation for 2-(3-fluorophenyl)-1-[6-(2-methoxy-4-pyridinyl)-1H-benzimidazol-2-yl]ethanamine?
The canonical SMILES for 2-(3-fluorophenyl)-1-[6-(2-methoxy-4-pyridinyl)-1H-benzimidazol-2-yl]ethanamine is COc1cc(-c2ccc3nc(C(N)Cc4cccc(F)c4)[nH]c3c2)ccn1.
What is the InChIKey of 2-(3-fluorophenyl)-1-[6-(2-methoxy-4-pyridinyl)-1H-benzimidazol-2-yl]ethanamine?
The InChIKey is UCVRTVQUUXBHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O/c1-27-20-12-15(7-8-24-20)14-5-6-18-19(11-14)26-21(25-18)17(23)10-13-3-2-4-16(22)9-13/h2-9,11-12,17H,10,23H2,1H3,(H,25,26).
What are the key properties of 2-(3-fluorophenyl)-1-[6-(2-methoxy-4-pyridinyl)-1H-benzimidazol-2-yl]ethanamine?
2-(3-fluorophenyl)-1-[6-(2-methoxy-4-pyridinyl)-1H-benzimidazol-2-yl]ethanamine has a molecular weight of 362.41 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-[6-(2-methoxy-4-pyridinyl)-1H-benzimidazol-2-yl]ethanamine is sourced from PubChem (CID 77219863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).