N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-7H-purin-6-amine

C14H12FN7 — CID 39801917

IUPACN-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-7H-purin-6-amine
SMILESFc1ccc2nc(CCNc3ncnc4nc[nH]c34)[nH]c2c1
InChIInChI=1S/C14H12FN7/c15-8-1-2-9-10(5-8)22-11(21-9)3-4-16-13-12-14(18-6-17-12)20-7-19-13/h1-2,5-7H,3-4H2,(H,21,22)(H2,16,17,18,19,20)
InChIKeyRDEMAERDHWYMCB-UHFFFAOYSA-N
MW297.30 g/mol
LogP2.02
Rot. Bonds4

About N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-7H-purin-6-amine

N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-7H-purin-6-amine (PubChem CID 39801917) has the molecular formula C14H12FN7 and a molecular weight of 297.30 g/mol. Its IUPAC name is N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-7H-purin-6-amine
PubChem CID39801917
Molecular FormulaC14H12FN7
Molecular Weight297.30 g/mol
Exact Mass297.11
IUPAC NameN-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-7H-purin-6-amine
SMILESFc1ccc2nc(CCNc3ncnc4nc[nH]c34)[nH]c2c1
InChIInChI=1S/C14H12FN7/c15-8-1-2-9-10(5-8)22-11(21-9)3-4-16-13-12-14(18-6-17-12)20-7-19-13/h1-2,5-7H,3-4H2,(H,21,22)(H2,16,17,18,19,20)
InChIKeyRDEMAERDHWYMCB-UHFFFAOYSA-N
XLogP2.02
TPSA95.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-7H-purin-6-amine?
The IUPAC name of N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-7H-purin-6-amine (CID 39801917) is N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-7H-purin-6-amine.
What is the SMILES notation for N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-7H-purin-6-amine?
The canonical SMILES for N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-7H-purin-6-amine is Fc1ccc2nc(CCNc3ncnc4nc[nH]c34)[nH]c2c1.
What is the InChIKey of N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-7H-purin-6-amine?
The InChIKey is RDEMAERDHWYMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN7/c15-8-1-2-9-10(5-8)22-11(21-9)3-4-16-13-12-14(18-6-17-12)20-7-19-13/h1-2,5-7H,3-4H2,(H,21,22)(H2,16,17,18,19,20).
What are the key properties of N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-7H-purin-6-amine?
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-7H-purin-6-amine has a molecular weight of 297.30 g/mol, XLogP of 2.02, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-7H-purin-6-amine is sourced from PubChem (CID 39801917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).