5-fluoro-1-(2-methyl-3-pyrrolidin-1-ylpropyl)benzimidazol-2-amine

C15H21FN4 — CID 62993390

IUPAC5-fluoro-1-(2-methyl-3-pyrrolidin-1-ylpropyl)benzimidazol-2-amine
SMILESCC(CN1CCCC1)Cn1c(N)nc2cc(F)ccc21
InChIInChI=1S/C15H21FN4/c1-11(9-19-6-2-3-7-19)10-20-14-5-4-12(16)8-13(14)18-15(20)17/h4-5,8,11H,2-3,6-7,9-10H2,1H3,(H2,17,18)
InChIKeySBRCMVMIHIWYBB-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.49
Rot. Bonds4

About 5-fluoro-1-(2-methyl-3-pyrrolidin-1-ylpropyl)benzimidazol-2-amine

5-fluoro-1-(2-methyl-3-pyrrolidin-1-ylpropyl)benzimidazol-2-amine (PubChem CID 62993390) has the molecular formula C15H21FN4 and a molecular weight of 276.36 g/mol. Its IUPAC name is 5-fluoro-1-(2-methyl-3-pyrrolidin-1-ylpropyl)benzimidazol-2-amine.

Molecular Properties

Compound Name5-fluoro-1-(2-methyl-3-pyrrolidin-1-ylpropyl)benzimidazol-2-amine
PubChem CID62993390
Molecular FormulaC15H21FN4
Molecular Weight276.36 g/mol
Exact Mass276.18
IUPAC Name5-fluoro-1-(2-methyl-3-pyrrolidin-1-ylpropyl)benzimidazol-2-amine
SMILESCC(CN1CCCC1)Cn1c(N)nc2cc(F)ccc21
InChIInChI=1S/C15H21FN4/c1-11(9-19-6-2-3-7-19)10-20-14-5-4-12(16)8-13(14)18-15(20)17/h4-5,8,11H,2-3,6-7,9-10H2,1H3,(H2,17,18)
InChIKeySBRCMVMIHIWYBB-UHFFFAOYSA-N
XLogP2.49
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(2-methyl-3-pyrrolidin-1-ylpropyl)benzimidazol-2-amine?
The IUPAC name of 5-fluoro-1-(2-methyl-3-pyrrolidin-1-ylpropyl)benzimidazol-2-amine (CID 62993390) is 5-fluoro-1-(2-methyl-3-pyrrolidin-1-ylpropyl)benzimidazol-2-amine.
What is the SMILES notation for 5-fluoro-1-(2-methyl-3-pyrrolidin-1-ylpropyl)benzimidazol-2-amine?
The canonical SMILES for 5-fluoro-1-(2-methyl-3-pyrrolidin-1-ylpropyl)benzimidazol-2-amine is CC(CN1CCCC1)Cn1c(N)nc2cc(F)ccc21.
What is the InChIKey of 5-fluoro-1-(2-methyl-3-pyrrolidin-1-ylpropyl)benzimidazol-2-amine?
The InChIKey is SBRCMVMIHIWYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN4/c1-11(9-19-6-2-3-7-19)10-20-14-5-4-12(16)8-13(14)18-15(20)17/h4-5,8,11H,2-3,6-7,9-10H2,1H3,(H2,17,18).
What are the key properties of 5-fluoro-1-(2-methyl-3-pyrrolidin-1-ylpropyl)benzimidazol-2-amine?
5-fluoro-1-(2-methyl-3-pyrrolidin-1-ylpropyl)benzimidazol-2-amine has a molecular weight of 276.36 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(2-methyl-3-pyrrolidin-1-ylpropyl)benzimidazol-2-amine is sourced from PubChem (CID 62993390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).