6,7-difluoro-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzimidazol-2-amine

C15H20F2N4 — CID 62533222

IUPAC6,7-difluoro-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzimidazol-2-amine
SMILESCC(C)N1CCC(Cn2c(N)nc3ccc(F)c(F)c32)C1
InChIInChI=1S/C15H20F2N4/c1-9(2)20-6-5-10(7-20)8-21-14-12(19-15(21)18)4-3-11(16)13(14)17/h3-4,9-10H,5-8H2,1-2H3,(H2,18,19)
InChIKeyBTAXOJNHXIGTTE-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.63
Rot. Bonds3

About 6,7-difluoro-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzimidazol-2-amine

6,7-difluoro-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzimidazol-2-amine (PubChem CID 62533222) has the molecular formula C15H20F2N4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 6,7-difluoro-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzimidazol-2-amine.

Molecular Properties

Compound Name6,7-difluoro-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzimidazol-2-amine
PubChem CID62533222
Molecular FormulaC15H20F2N4
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name6,7-difluoro-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzimidazol-2-amine
SMILESCC(C)N1CCC(Cn2c(N)nc3ccc(F)c(F)c32)C1
InChIInChI=1S/C15H20F2N4/c1-9(2)20-6-5-10(7-20)8-21-14-12(19-15(21)18)4-3-11(16)13(14)17/h3-4,9-10H,5-8H2,1-2H3,(H2,18,19)
InChIKeyBTAXOJNHXIGTTE-UHFFFAOYSA-N
XLogP2.63
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzimidazol-2-amine?
The IUPAC name of 6,7-difluoro-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzimidazol-2-amine (CID 62533222) is 6,7-difluoro-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzimidazol-2-amine.
What is the SMILES notation for 6,7-difluoro-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzimidazol-2-amine?
The canonical SMILES for 6,7-difluoro-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzimidazol-2-amine is CC(C)N1CCC(Cn2c(N)nc3ccc(F)c(F)c32)C1.
What is the InChIKey of 6,7-difluoro-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzimidazol-2-amine?
The InChIKey is BTAXOJNHXIGTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N4/c1-9(2)20-6-5-10(7-20)8-21-14-12(19-15(21)18)4-3-11(16)13(14)17/h3-4,9-10H,5-8H2,1-2H3,(H2,18,19).
What are the key properties of 6,7-difluoro-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzimidazol-2-amine?
6,7-difluoro-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzimidazol-2-amine has a molecular weight of 294.35 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 6,7-difluoro-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzimidazol-2-amine is sourced from PubChem (CID 62533222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).