7-bromo-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-1,5-naphthyridin-4-amine

C17H13BrFN5 — CID 133483851

IUPAC7-bromo-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-1,5-naphthyridin-4-amine
SMILESFc1ccc2nc(CCNc3ccnc4cc(Br)cnc34)[nH]c2c1
InChIInChI=1S/C17H13BrFN5/c18-10-7-15-17(22-9-10)13(3-5-21-15)20-6-4-16-23-12-2-1-11(19)8-14(12)24-16/h1-3,5,7-9H,4,6H2,(H,20,21)(H,23,24)
InChIKeyCIKFZQLGRGFHDZ-UHFFFAOYSA-N
MW386.23 g/mol
LogP4.06
Rot. Bonds4

About 7-bromo-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-1,5-naphthyridin-4-amine

7-bromo-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-1,5-naphthyridin-4-amine (PubChem CID 133483851) has the molecular formula C17H13BrFN5 and a molecular weight of 386.23 g/mol. Its IUPAC name is 7-bromo-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-1,5-naphthyridin-4-amine.

Molecular Properties

Compound Name7-bromo-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-1,5-naphthyridin-4-amine
PubChem CID133483851
Molecular FormulaC17H13BrFN5
Molecular Weight386.23 g/mol
Exact Mass385.03
IUPAC Name7-bromo-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-1,5-naphthyridin-4-amine
SMILESFc1ccc2nc(CCNc3ccnc4cc(Br)cnc34)[nH]c2c1
InChIInChI=1S/C17H13BrFN5/c18-10-7-15-17(22-9-10)13(3-5-21-15)20-6-4-16-23-12-2-1-11(19)8-14(12)24-16/h1-3,5,7-9H,4,6H2,(H,20,21)(H,23,24)
InChIKeyCIKFZQLGRGFHDZ-UHFFFAOYSA-N
XLogP4.06
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.23
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]aniline
CID 54924340
N-ethyl-2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine
CID 25218862
7-bromo-N-[2-(1-methylpyrazol-3-yl)ethyl]-1,5-naphthyridin-4-amine
CID 104891886
4-chloro-2-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]benzonitrile
CID 133378485
7-bromo-N-(2-pyrrolidin-2-ylethyl)-1,5-naphthyridin-4-amine
CID 114794555
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cycloheptanamine
CID 82336950
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cyclooctanamine
CID 82336934
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-7H-purin-6-amine
CID 39801917
2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine
CID 16767401
6-fluoro-2-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1H-benzimidazole
CID 71367754
7-bromo-N-(1,2-oxazol-5-ylmethyl)-1,5-naphthyridin-4-amine
CID 106419106
6-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylamino]-N,N-dimethylpyridine-3-carboxamide
CID 133378556

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-1,5-naphthyridin-4-amine?
The IUPAC name of 7-bromo-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-1,5-naphthyridin-4-amine (CID 133483851) is 7-bromo-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-1,5-naphthyridin-4-amine.
What is the SMILES notation for 7-bromo-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-1,5-naphthyridin-4-amine?
The canonical SMILES for 7-bromo-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-1,5-naphthyridin-4-amine is Fc1ccc2nc(CCNc3ccnc4cc(Br)cnc34)[nH]c2c1.
What is the InChIKey of 7-bromo-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-1,5-naphthyridin-4-amine?
The InChIKey is CIKFZQLGRGFHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrFN5/c18-10-7-15-17(22-9-10)13(3-5-21-15)20-6-4-16-23-12-2-1-11(19)8-14(12)24-16/h1-3,5,7-9H,4,6H2,(H,20,21)(H,23,24).
What are the key properties of 7-bromo-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-1,5-naphthyridin-4-amine?
7-bromo-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-1,5-naphthyridin-4-amine has a molecular weight of 386.23 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-1,5-naphthyridin-4-amine is sourced from PubChem (CID 133483851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).