3-(1-ethyl-5-fluorobenzimidazol-2-yl)-3-methylbutan-1-amine

C14H20FN3 — CID 114285540

IUPAC3-(1-ethyl-5-fluorobenzimidazol-2-yl)-3-methylbutan-1-amine
SMILESCCn1c(C(C)(C)CCN)nc2cc(F)ccc21
InChIInChI=1S/C14H20FN3/c1-4-18-12-6-5-10(15)9-11(12)17-13(18)14(2,3)7-8-16/h5-6,9H,4,7-8,16H2,1-3H3
InChIKeyLXZNBXLCRLLSAN-UHFFFAOYSA-N
MW249.33 g/mol
LogP2.82
Rot. Bonds4

About 3-(1-ethyl-5-fluorobenzimidazol-2-yl)-3-methylbutan-1-amine

3-(1-ethyl-5-fluorobenzimidazol-2-yl)-3-methylbutan-1-amine (PubChem CID 114285540) has the molecular formula C14H20FN3 and a molecular weight of 249.33 g/mol. Its IUPAC name is 3-(1-ethyl-5-fluorobenzimidazol-2-yl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name3-(1-ethyl-5-fluorobenzimidazol-2-yl)-3-methylbutan-1-amine
PubChem CID114285540
Molecular FormulaC14H20FN3
Molecular Weight249.33 g/mol
Exact Mass249.16
IUPAC Name3-(1-ethyl-5-fluorobenzimidazol-2-yl)-3-methylbutan-1-amine
SMILESCCn1c(C(C)(C)CCN)nc2cc(F)ccc21
InChIInChI=1S/C14H20FN3/c1-4-18-12-6-5-10(15)9-11(12)17-13(18)14(2,3)7-8-16/h5-6,9H,4,7-8,16H2,1-3H3
InChIKeyLXZNBXLCRLLSAN-UHFFFAOYSA-N
XLogP2.82
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-ethyl-5-fluorobenzimidazol-2-yl)-2-methylpropan-1-amine
CID 113307952
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
CID 60784226
N-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]propan-2-amine
CID 60837205
2-tert-butyl-1-ethyl-N-methylbenzimidazol-5-amine
CID 143022253
1-ethyl-5-fluoro-N-(pyridin-3-ylmethyl)benzimidazol-2-amine
CID 86802845
2-(2-bromo-5-fluorobenzimidazol-1-yl)ethanamine
CID 84805700
1-(1-ethyl-5-fluorobenzimidazol-2-yl)cyclopentan-1-amine
CID 61291958
4-(1-ethyl-5-fluorobenzimidazol-2-yl)cyclohexan-1-amine
CID 60810395
N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methylpropan-2-amine
CID 63772507

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethyl-5-fluorobenzimidazol-2-yl)-3-methylbutan-1-amine?
The IUPAC name of 3-(1-ethyl-5-fluorobenzimidazol-2-yl)-3-methylbutan-1-amine (CID 114285540) is 3-(1-ethyl-5-fluorobenzimidazol-2-yl)-3-methylbutan-1-amine.
What is the SMILES notation for 3-(1-ethyl-5-fluorobenzimidazol-2-yl)-3-methylbutan-1-amine?
The canonical SMILES for 3-(1-ethyl-5-fluorobenzimidazol-2-yl)-3-methylbutan-1-amine is CCn1c(C(C)(C)CCN)nc2cc(F)ccc21.
What is the InChIKey of 3-(1-ethyl-5-fluorobenzimidazol-2-yl)-3-methylbutan-1-amine?
The InChIKey is LXZNBXLCRLLSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3/c1-4-18-12-6-5-10(15)9-11(12)17-13(18)14(2,3)7-8-16/h5-6,9H,4,7-8,16H2,1-3H3.
What are the key properties of 3-(1-ethyl-5-fluorobenzimidazol-2-yl)-3-methylbutan-1-amine?
3-(1-ethyl-5-fluorobenzimidazol-2-yl)-3-methylbutan-1-amine has a molecular weight of 249.33 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethyl-5-fluorobenzimidazol-2-yl)-3-methylbutan-1-amine is sourced from PubChem (CID 114285540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).