1-(4-fluoro-1H-benzimidazol-2-yl)cyclopentan-1-amine

C12H14FN3 — CID 61289877

IUPAC1-(4-fluoro-1H-benzimidazol-2-yl)cyclopentan-1-amine
SMILESNC1(c2nc3c(F)cccc3[nH]2)CCCC1
InChIInChI=1S/C12H14FN3/c13-8-4-3-5-9-10(8)16-11(15-9)12(14)6-1-2-7-12/h3-5H,1-2,6-7,14H2,(H,15,16)
InChIKeyBUVNZPIKCXBTJM-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.43
Rot. Bonds1

About 1-(4-fluoro-1H-benzimidazol-2-yl)cyclopentan-1-amine

1-(4-fluoro-1H-benzimidazol-2-yl)cyclopentan-1-amine (PubChem CID 61289877) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is 1-(4-fluoro-1H-benzimidazol-2-yl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(4-fluoro-1H-benzimidazol-2-yl)cyclopentan-1-amine
PubChem CID61289877
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC Name1-(4-fluoro-1H-benzimidazol-2-yl)cyclopentan-1-amine
SMILESNC1(c2nc3c(F)cccc3[nH]2)CCCC1
InChIInChI=1S/C12H14FN3/c13-8-4-3-5-9-10(8)16-11(15-9)12(14)6-1-2-7-12/h3-5H,1-2,6-7,14H2,(H,15,16)
InChIKeyBUVNZPIKCXBTJM-UHFFFAOYSA-N
XLogP2.43
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-1H-benzimidazol-2-yl)cyclopentan-1-amine?
The IUPAC name of 1-(4-fluoro-1H-benzimidazol-2-yl)cyclopentan-1-amine (CID 61289877) is 1-(4-fluoro-1H-benzimidazol-2-yl)cyclopentan-1-amine.
What is the SMILES notation for 1-(4-fluoro-1H-benzimidazol-2-yl)cyclopentan-1-amine?
The canonical SMILES for 1-(4-fluoro-1H-benzimidazol-2-yl)cyclopentan-1-amine is NC1(c2nc3c(F)cccc3[nH]2)CCCC1.
What is the InChIKey of 1-(4-fluoro-1H-benzimidazol-2-yl)cyclopentan-1-amine?
The InChIKey is BUVNZPIKCXBTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3/c13-8-4-3-5-9-10(8)16-11(15-9)12(14)6-1-2-7-12/h3-5H,1-2,6-7,14H2,(H,15,16).
What are the key properties of 1-(4-fluoro-1H-benzimidazol-2-yl)cyclopentan-1-amine?
1-(4-fluoro-1H-benzimidazol-2-yl)cyclopentan-1-amine has a molecular weight of 219.26 g/mol, XLogP of 2.43, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-1H-benzimidazol-2-yl)cyclopentan-1-amine is sourced from PubChem (CID 61289877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).