N-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]propan-2-amine

C13H18FN3 — CID 60837205

IUPACN-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]propan-2-amine
SMILESCCn1c(CNC(C)C)nc2cc(F)ccc21
InChIInChI=1S/C13H18FN3/c1-4-17-12-6-5-10(14)7-11(12)16-13(17)8-15-9(2)3/h5-7,9,15H,4,8H2,1-3H3
InChIKeyIJEANGGCLCRJRC-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.69
Rot. Bonds4

About N-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]propan-2-amine

N-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]propan-2-amine (PubChem CID 60837205) has the molecular formula C13H18FN3 and a molecular weight of 235.31 g/mol. Its IUPAC name is N-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]propan-2-amine
PubChem CID60837205
Molecular FormulaC13H18FN3
Molecular Weight235.31 g/mol
Exact Mass235.15
IUPAC NameN-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]propan-2-amine
SMILESCCn1c(CNC(C)C)nc2cc(F)ccc21
InChIInChI=1S/C13H18FN3/c1-4-17-12-6-5-10(14)7-11(12)16-13(17)8-15-9(2)3/h5-7,9,15H,4,8H2,1-3H3
InChIKeyIJEANGGCLCRJRC-UHFFFAOYSA-N
XLogP2.69
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-ethyl-5-fluorobenzimidazol-2-yl)methanol
CID 63756217
(3S)-3-cyclopropyl-3-[(1-ethyl-5-fluorobenzimidazol-2-yl)methylamino]propan-1-ol
CID 97307223
N-[2-(1-ethyl-5-fluorobenzimidazol-2-yl)ethyl]-2-methylpropan-1-amine
CID 82332259
N-[2-(5-fluoro-1-prop-2-ynylbenzimidazol-2-yl)ethyl]propan-2-amine
CID 82332273
1-ethyl-5-fluoro-2-[(5-methyltetrazol-1-yl)methyl]benzimidazole
CID 75426367
3-(1-ethyl-5-fluorobenzimidazol-2-yl)-1,1,1-trifluoropropan-2-one
CID 79872626
N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]-2-methylpropan-2-amine
CID 63772507
1-[1-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]piperidin-2-yl]ethanol
CID 111106832
1-ethyl-2-[[(2S)-2-ethylpiperidin-1-yl]methyl]-5-fluorobenzimidazole
CID 52879080
N-[(1-ethyl-6-fluorobenzimidazol-2-yl)methyl]cyclopentanamine
CID 55068076
N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]cyclopropanamine
CID 60835697
3-[2-(1-ethyl-5-fluorobenzimidazol-2-yl)ethyl]aniline
CID 115339584

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]propan-2-amine?
The IUPAC name of N-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]propan-2-amine (CID 60837205) is N-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]propan-2-amine is CCn1c(CNC(C)C)nc2cc(F)ccc21.
What is the InChIKey of N-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]propan-2-amine?
The InChIKey is IJEANGGCLCRJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3/c1-4-17-12-6-5-10(14)7-11(12)16-13(17)8-15-9(2)3/h5-7,9,15H,4,8H2,1-3H3.
What are the key properties of N-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]propan-2-amine?
N-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]propan-2-amine has a molecular weight of 235.31 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 60837205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).