2-(1-ethyl-5-fluorobenzimidazol-2-yl)-2-methylpropan-1-amine

C13H18FN3 — CID 113307952

IUPAC2-(1-ethyl-5-fluorobenzimidazol-2-yl)-2-methylpropan-1-amine
SMILESCCn1c(C(C)(C)CN)nc2cc(F)ccc21
InChIInChI=1S/C13H18FN3/c1-4-17-11-6-5-9(14)7-10(11)16-12(17)13(2,3)8-15/h5-7H,4,8,15H2,1-3H3
InChIKeyGFSZNHYNXRMLKE-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.43
Rot. Bonds3

About 2-(1-ethyl-5-fluorobenzimidazol-2-yl)-2-methylpropan-1-amine

2-(1-ethyl-5-fluorobenzimidazol-2-yl)-2-methylpropan-1-amine (PubChem CID 113307952) has the molecular formula C13H18FN3 and a molecular weight of 235.31 g/mol. Its IUPAC name is 2-(1-ethyl-5-fluorobenzimidazol-2-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(1-ethyl-5-fluorobenzimidazol-2-yl)-2-methylpropan-1-amine
PubChem CID113307952
Molecular FormulaC13H18FN3
Molecular Weight235.31 g/mol
Exact Mass235.15
IUPAC Name2-(1-ethyl-5-fluorobenzimidazol-2-yl)-2-methylpropan-1-amine
SMILESCCn1c(C(C)(C)CN)nc2cc(F)ccc21
InChIInChI=1S/C13H18FN3/c1-4-17-11-6-5-9(14)7-10(11)16-12(17)13(2,3)8-15/h5-7H,4,8,15H2,1-3H3
InChIKeyGFSZNHYNXRMLKE-UHFFFAOYSA-N
XLogP2.43
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-ethyl-5-fluorobenzimidazol-2-yl)-3-methylbutan-1-amine
CID 114285540
2-(5-fluoro-1-propylbenzimidazol-2-yl)-2-methylpropan-1-amine
CID 115427809
(1-ethyl-5-fluorobenzimidazol-2-yl)methanol
CID 63756217
1-(1-ethyl-5-methylbenzimidazol-2-yl)-1-(4-fluorophenyl)ethanol
CID 167614234
2-(1-ethyl-5-fluorobenzimidazol-2-yl)-5-fluoroaniline
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2-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)-2-methylpropan-1-amine
CID 115427820
1-(1-ethyl-5-fluorobenzimidazol-2-yl)cyclopentan-1-amine
CID 61291958
4-(1-ethyl-5-fluorobenzimidazol-2-yl)cyclohexan-1-amine
CID 60810395
3-(1-ethyl-5-fluorobenzimidazol-2-yl)thiophen-2-amine
CID 60783425
3-amino-3-(1-ethyl-5-fluorobenzimidazol-2-yl)propan-1-ol
CID 61230255
3-(1-ethyl-5-fluorobenzimidazol-2-yl)-1,1,1-trifluoropropan-2-one
CID 79872626
5-(1-ethyl-5-fluorobenzimidazol-2-yl)thiophen-2-amine
CID 54919875

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-5-fluorobenzimidazol-2-yl)-2-methylpropan-1-amine?
The IUPAC name of 2-(1-ethyl-5-fluorobenzimidazol-2-yl)-2-methylpropan-1-amine (CID 113307952) is 2-(1-ethyl-5-fluorobenzimidazol-2-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 2-(1-ethyl-5-fluorobenzimidazol-2-yl)-2-methylpropan-1-amine?
The canonical SMILES for 2-(1-ethyl-5-fluorobenzimidazol-2-yl)-2-methylpropan-1-amine is CCn1c(C(C)(C)CN)nc2cc(F)ccc21.
What is the InChIKey of 2-(1-ethyl-5-fluorobenzimidazol-2-yl)-2-methylpropan-1-amine?
The InChIKey is GFSZNHYNXRMLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3/c1-4-17-11-6-5-9(14)7-10(11)16-12(17)13(2,3)8-15/h5-7H,4,8,15H2,1-3H3.
What are the key properties of 2-(1-ethyl-5-fluorobenzimidazol-2-yl)-2-methylpropan-1-amine?
2-(1-ethyl-5-fluorobenzimidazol-2-yl)-2-methylpropan-1-amine has a molecular weight of 235.31 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-5-fluorobenzimidazol-2-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 113307952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).