1-N-(6-fluoro-1H-benzimidazol-2-yl)cyclobutane-1,3-diamine

C11H13FN4 — CID 103295199

IUPAC1-N-(6-fluoro-1H-benzimidazol-2-yl)cyclobutane-1,3-diamine
SMILESNC1CC(Nc2nc3ccc(F)cc3[nH]2)C1
InChIInChI=1S/C11H13FN4/c12-6-1-2-9-10(3-6)16-11(15-9)14-8-4-7(13)5-8/h1-3,7-8H,4-5,13H2,(H2,14,15,16)
InChIKeyXINBQROLQYWSTJ-UHFFFAOYSA-N
MW220.25 g/mol
LogP1.60
Rot. Bonds2

About 1-N-(6-fluoro-1H-benzimidazol-2-yl)cyclobutane-1,3-diamine

1-N-(6-fluoro-1H-benzimidazol-2-yl)cyclobutane-1,3-diamine (PubChem CID 103295199) has the molecular formula C11H13FN4 and a molecular weight of 220.25 g/mol. Its IUPAC name is 1-N-(6-fluoro-1H-benzimidazol-2-yl)cyclobutane-1,3-diamine.

Molecular Properties

Compound Name1-N-(6-fluoro-1H-benzimidazol-2-yl)cyclobutane-1,3-diamine
PubChem CID103295199
Molecular FormulaC11H13FN4
Molecular Weight220.25 g/mol
Exact Mass220.11
IUPAC Name1-N-(6-fluoro-1H-benzimidazol-2-yl)cyclobutane-1,3-diamine
SMILESNC1CC(Nc2nc3ccc(F)cc3[nH]2)C1
InChIInChI=1S/C11H13FN4/c12-6-1-2-9-10(3-6)16-11(15-9)14-8-4-7(13)5-8/h1-3,7-8H,4-5,13H2,(H2,14,15,16)
InChIKeyXINBQROLQYWSTJ-UHFFFAOYSA-N
XLogP1.60
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,3-dimethylcyclohexyl)-6-fluoro-1H-benzimidazol-2-amine
CID 103295052
6-fluoro-N-(2-propan-2-ylcyclohexyl)-1H-benzimidazol-2-amine
CID 103295064
1-N-(6-fluoro-1,3-benzothiazol-2-yl)cyclobutane-1,3-diamine
CID 86694226
N-(3-cyclopropylpropyl)-6-fluoro-1H-benzimidazol-2-amine
CID 103295166
1-cyclohexyl-N-(6-fluoro-1H-benzimidazol-2-yl)ethane-1,2-diamine
CID 103295345
2-(6-fluoro-1H-benzimidazol-2-yl)cyclopentan-1-amine
CID 64812865
N-cyclopropyl-3-[(6-fluoro-1H-benzimidazol-2-yl)amino]propanamide
CID 103295026
cis-(1S,3R)-3-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]cyclopentane-1-carboxamide
CID 122564449
3-amino-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]cyclopentane-1-carboxamide
CID 119885363
6-fluoro-N-(1-piperidin-3-ylethyl)-1H-benzimidazol-2-amine
CID 103295220
6-fluoro-N-(thiolan-2-ylmethyl)-1H-benzimidazol-2-amine
CID 103295044
1-N-(6-fluoro-1H-benzimidazol-2-yl)-3-methylbutane-1,2-diamine
CID 103295277

Frequently Asked Questions

What is the IUPAC name of 1-N-(6-fluoro-1H-benzimidazol-2-yl)cyclobutane-1,3-diamine?
The IUPAC name of 1-N-(6-fluoro-1H-benzimidazol-2-yl)cyclobutane-1,3-diamine (CID 103295199) is 1-N-(6-fluoro-1H-benzimidazol-2-yl)cyclobutane-1,3-diamine.
What is the SMILES notation for 1-N-(6-fluoro-1H-benzimidazol-2-yl)cyclobutane-1,3-diamine?
The canonical SMILES for 1-N-(6-fluoro-1H-benzimidazol-2-yl)cyclobutane-1,3-diamine is NC1CC(Nc2nc3ccc(F)cc3[nH]2)C1.
What is the InChIKey of 1-N-(6-fluoro-1H-benzimidazol-2-yl)cyclobutane-1,3-diamine?
The InChIKey is XINBQROLQYWSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4/c12-6-1-2-9-10(3-6)16-11(15-9)14-8-4-7(13)5-8/h1-3,7-8H,4-5,13H2,(H2,14,15,16).
What are the key properties of 1-N-(6-fluoro-1H-benzimidazol-2-yl)cyclobutane-1,3-diamine?
1-N-(6-fluoro-1H-benzimidazol-2-yl)cyclobutane-1,3-diamine has a molecular weight of 220.25 g/mol, XLogP of 1.60, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(6-fluoro-1H-benzimidazol-2-yl)cyclobutane-1,3-diamine is sourced from PubChem (CID 103295199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).