1-[[1-(dimethylamino)cyclopentyl]methyl]-6-fluorobenzimidazol-2-amine

C15H21FN4 — CID 83115717

IUPAC1-[[1-(dimethylamino)cyclopentyl]methyl]-6-fluorobenzimidazol-2-amine
SMILESCN(C)C1(Cn2c(N)nc3ccc(F)cc32)CCCC1
InChIInChI=1S/C15H21FN4/c1-19(2)15(7-3-4-8-15)10-20-13-9-11(16)5-6-12(13)18-14(20)17/h5-6,9H,3-4,7-8,10H2,1-2H3,(H2,17,18)
InChIKeyBSLFXPDXOLACEN-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.63
Rot. Bonds3

About 1-[[1-(dimethylamino)cyclopentyl]methyl]-6-fluorobenzimidazol-2-amine

1-[[1-(dimethylamino)cyclopentyl]methyl]-6-fluorobenzimidazol-2-amine (PubChem CID 83115717) has the molecular formula C15H21FN4 and a molecular weight of 276.36 g/mol. Its IUPAC name is 1-[[1-(dimethylamino)cyclopentyl]methyl]-6-fluorobenzimidazol-2-amine.

Molecular Properties

Compound Name1-[[1-(dimethylamino)cyclopentyl]methyl]-6-fluorobenzimidazol-2-amine
PubChem CID83115717
Molecular FormulaC15H21FN4
Molecular Weight276.36 g/mol
Exact Mass276.18
IUPAC Name1-[[1-(dimethylamino)cyclopentyl]methyl]-6-fluorobenzimidazol-2-amine
SMILESCN(C)C1(Cn2c(N)nc3ccc(F)cc32)CCCC1
InChIInChI=1S/C15H21FN4/c1-19(2)15(7-3-4-8-15)10-20-13-9-11(16)5-6-12(13)18-14(20)17/h5-6,9H,3-4,7-8,10H2,1-2H3,(H2,17,18)
InChIKeyBSLFXPDXOLACEN-UHFFFAOYSA-N
XLogP2.63
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(dimethylamino)cyclopentyl]methyl]-6-fluorobenzimidazol-2-amine?
The IUPAC name of 1-[[1-(dimethylamino)cyclopentyl]methyl]-6-fluorobenzimidazol-2-amine (CID 83115717) is 1-[[1-(dimethylamino)cyclopentyl]methyl]-6-fluorobenzimidazol-2-amine.
What is the SMILES notation for 1-[[1-(dimethylamino)cyclopentyl]methyl]-6-fluorobenzimidazol-2-amine?
The canonical SMILES for 1-[[1-(dimethylamino)cyclopentyl]methyl]-6-fluorobenzimidazol-2-amine is CN(C)C1(Cn2c(N)nc3ccc(F)cc32)CCCC1.
What is the InChIKey of 1-[[1-(dimethylamino)cyclopentyl]methyl]-6-fluorobenzimidazol-2-amine?
The InChIKey is BSLFXPDXOLACEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN4/c1-19(2)15(7-3-4-8-15)10-20-13-9-11(16)5-6-12(13)18-14(20)17/h5-6,9H,3-4,7-8,10H2,1-2H3,(H2,17,18).
What are the key properties of 1-[[1-(dimethylamino)cyclopentyl]methyl]-6-fluorobenzimidazol-2-amine?
1-[[1-(dimethylamino)cyclopentyl]methyl]-6-fluorobenzimidazol-2-amine has a molecular weight of 276.36 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(dimethylamino)cyclopentyl]methyl]-6-fluorobenzimidazol-2-amine is sourced from PubChem (CID 83115717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).