2-(4,6-difluoro-1H-benzimidazol-2-yl)-4-methylpentan-1-amine

C13H17F2N3 — CID 81449342

IUPAC2-(4,6-difluoro-1H-benzimidazol-2-yl)-4-methylpentan-1-amine
SMILESCC(C)CC(CN)c1nc2c(F)cc(F)cc2[nH]1
InChIInChI=1S/C13H17F2N3/c1-7(2)3-8(6-16)13-17-11-5-9(14)4-10(15)12(11)18-13/h4-5,7-8H,3,6,16H2,1-2H3,(H,17,18)
InChIKeyJWPUFPFCTGFUGN-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.93
Rot. Bonds4

About 2-(4,6-difluoro-1H-benzimidazol-2-yl)-4-methylpentan-1-amine

2-(4,6-difluoro-1H-benzimidazol-2-yl)-4-methylpentan-1-amine (PubChem CID 81449342) has the molecular formula C13H17F2N3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-(4,6-difluoro-1H-benzimidazol-2-yl)-4-methylpentan-1-amine.

Molecular Properties

Compound Name2-(4,6-difluoro-1H-benzimidazol-2-yl)-4-methylpentan-1-amine
PubChem CID81449342
Molecular FormulaC13H17F2N3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name2-(4,6-difluoro-1H-benzimidazol-2-yl)-4-methylpentan-1-amine
SMILESCC(C)CC(CN)c1nc2c(F)cc(F)cc2[nH]1
InChIInChI=1S/C13H17F2N3/c1-7(2)3-8(6-16)13-17-11-5-9(14)4-10(15)12(11)18-13/h4-5,7-8H,3,6,16H2,1-2H3,(H,17,18)
InChIKeyJWPUFPFCTGFUGN-UHFFFAOYSA-N
XLogP2.93
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-difluoro-1H-benzimidazol-2-yl)-4-methylpentan-1-amine?
The IUPAC name of 2-(4,6-difluoro-1H-benzimidazol-2-yl)-4-methylpentan-1-amine (CID 81449342) is 2-(4,6-difluoro-1H-benzimidazol-2-yl)-4-methylpentan-1-amine.
What is the SMILES notation for 2-(4,6-difluoro-1H-benzimidazol-2-yl)-4-methylpentan-1-amine?
The canonical SMILES for 2-(4,6-difluoro-1H-benzimidazol-2-yl)-4-methylpentan-1-amine is CC(C)CC(CN)c1nc2c(F)cc(F)cc2[nH]1.
What is the InChIKey of 2-(4,6-difluoro-1H-benzimidazol-2-yl)-4-methylpentan-1-amine?
The InChIKey is JWPUFPFCTGFUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N3/c1-7(2)3-8(6-16)13-17-11-5-9(14)4-10(15)12(11)18-13/h4-5,7-8H,3,6,16H2,1-2H3,(H,17,18).
What are the key properties of 2-(4,6-difluoro-1H-benzimidazol-2-yl)-4-methylpentan-1-amine?
2-(4,6-difluoro-1H-benzimidazol-2-yl)-4-methylpentan-1-amine has a molecular weight of 253.30 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-difluoro-1H-benzimidazol-2-yl)-4-methylpentan-1-amine is sourced from PubChem (CID 81449342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).