1-N-(7-fluoro-1-methylbenzimidazol-2-yl)propane-1,2-diamine

C11H15FN4 — CID 83838714

IUPAC1-N-(7-fluoro-1-methylbenzimidazol-2-yl)propane-1,2-diamine
SMILESCC(N)CNc1nc2cccc(F)c2n1C
InChIInChI=1S/C11H15FN4/c1-7(13)6-14-11-15-9-5-3-4-8(12)10(9)16(11)2/h3-5,7H,6,13H2,1-2H3,(H,14,15)
InChIKeyBMBUSLZZPZVLBW-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.47
Rot. Bonds3

About 1-N-(7-fluoro-1-methylbenzimidazol-2-yl)propane-1,2-diamine

1-N-(7-fluoro-1-methylbenzimidazol-2-yl)propane-1,2-diamine (PubChem CID 83838714) has the molecular formula C11H15FN4 and a molecular weight of 222.27 g/mol. Its IUPAC name is 1-N-(7-fluoro-1-methylbenzimidazol-2-yl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-(7-fluoro-1-methylbenzimidazol-2-yl)propane-1,2-diamine
PubChem CID83838714
Molecular FormulaC11H15FN4
Molecular Weight222.27 g/mol
Exact Mass222.13
IUPAC Name1-N-(7-fluoro-1-methylbenzimidazol-2-yl)propane-1,2-diamine
SMILESCC(N)CNc1nc2cccc(F)c2n1C
InChIInChI=1S/C11H15FN4/c1-7(13)6-14-11-15-9-5-3-4-8(12)10(9)16(11)2/h3-5,7H,6,13H2,1-2H3,(H,14,15)
InChIKeyBMBUSLZZPZVLBW-UHFFFAOYSA-N
XLogP1.47
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-(7-fluoro-1-methylbenzimidazol-2-yl)propane-1,2-diamine?
The IUPAC name of 1-N-(7-fluoro-1-methylbenzimidazol-2-yl)propane-1,2-diamine (CID 83838714) is 1-N-(7-fluoro-1-methylbenzimidazol-2-yl)propane-1,2-diamine.
What is the SMILES notation for 1-N-(7-fluoro-1-methylbenzimidazol-2-yl)propane-1,2-diamine?
The canonical SMILES for 1-N-(7-fluoro-1-methylbenzimidazol-2-yl)propane-1,2-diamine is CC(N)CNc1nc2cccc(F)c2n1C.
What is the InChIKey of 1-N-(7-fluoro-1-methylbenzimidazol-2-yl)propane-1,2-diamine?
The InChIKey is BMBUSLZZPZVLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN4/c1-7(13)6-14-11-15-9-5-3-4-8(12)10(9)16(11)2/h3-5,7H,6,13H2,1-2H3,(H,14,15).
What are the key properties of 1-N-(7-fluoro-1-methylbenzimidazol-2-yl)propane-1,2-diamine?
1-N-(7-fluoro-1-methylbenzimidazol-2-yl)propane-1,2-diamine has a molecular weight of 222.27 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(7-fluoro-1-methylbenzimidazol-2-yl)propane-1,2-diamine is sourced from PubChem (CID 83838714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).