N-[(1-ethyl-6-fluorobenzimidazol-2-yl)methyl]cyclopentanamine

C15H20FN3 — CID 55068076

IUPACN-[(1-ethyl-6-fluorobenzimidazol-2-yl)methyl]cyclopentanamine
SMILESCCn1c(CNC2CCCC2)nc2ccc(F)cc21
InChIInChI=1S/C15H20FN3/c1-2-19-14-9-11(16)7-8-13(14)18-15(19)10-17-12-5-3-4-6-12/h7-9,12,17H,2-6,10H2,1H3
InChIKeyZXNUQSSMVPDXEM-UHFFFAOYSA-N
MW261.34 g/mol
LogP3.23
Rot. Bonds4

About N-[(1-ethyl-6-fluorobenzimidazol-2-yl)methyl]cyclopentanamine

N-[(1-ethyl-6-fluorobenzimidazol-2-yl)methyl]cyclopentanamine (PubChem CID 55068076) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is N-[(1-ethyl-6-fluorobenzimidazol-2-yl)methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[(1-ethyl-6-fluorobenzimidazol-2-yl)methyl]cyclopentanamine
PubChem CID55068076
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC NameN-[(1-ethyl-6-fluorobenzimidazol-2-yl)methyl]cyclopentanamine
SMILESCCn1c(CNC2CCCC2)nc2ccc(F)cc21
InChIInChI=1S/C15H20FN3/c1-2-19-14-9-11(16)7-8-13(14)18-15(19)10-17-12-5-3-4-6-12/h7-9,12,17H,2-6,10H2,1H3
InChIKeyZXNUQSSMVPDXEM-UHFFFAOYSA-N
XLogP3.23
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-6-fluorobenzimidazol-2-yl)methyl]cyclopentanamine?
The IUPAC name of N-[(1-ethyl-6-fluorobenzimidazol-2-yl)methyl]cyclopentanamine (CID 55068076) is N-[(1-ethyl-6-fluorobenzimidazol-2-yl)methyl]cyclopentanamine.
What is the SMILES notation for N-[(1-ethyl-6-fluorobenzimidazol-2-yl)methyl]cyclopentanamine?
The canonical SMILES for N-[(1-ethyl-6-fluorobenzimidazol-2-yl)methyl]cyclopentanamine is CCn1c(CNC2CCCC2)nc2ccc(F)cc21.
What is the InChIKey of N-[(1-ethyl-6-fluorobenzimidazol-2-yl)methyl]cyclopentanamine?
The InChIKey is ZXNUQSSMVPDXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-2-19-14-9-11(16)7-8-13(14)18-15(19)10-17-12-5-3-4-6-12/h7-9,12,17H,2-6,10H2,1H3.
What are the key properties of N-[(1-ethyl-6-fluorobenzimidazol-2-yl)methyl]cyclopentanamine?
N-[(1-ethyl-6-fluorobenzimidazol-2-yl)methyl]cyclopentanamine has a molecular weight of 261.34 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-6-fluorobenzimidazol-2-yl)methyl]cyclopentanamine is sourced from PubChem (CID 55068076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).