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

C15H22FN3 — CID 82332259

IUPACN-[2-(1-ethyl-5-fluorobenzimidazol-2-yl)ethyl]-2-methylpropan-1-amine
SMILESCCn1c(CCNCC(C)C)nc2cc(F)ccc21
InChIInChI=1S/C15H22FN3/c1-4-19-14-6-5-12(16)9-13(14)18-15(19)7-8-17-10-11(2)3/h5-6,9,11,17H,4,7-8,10H2,1-3H3
InChIKeyRLIKGOCNNDAJIT-UHFFFAOYSA-N
MW263.36 g/mol
LogP2.98
Rot. Bonds6

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

N-[2-(1-ethyl-5-fluorobenzimidazol-2-yl)ethyl]-2-methylpropan-1-amine (PubChem CID 82332259) has the molecular formula C15H22FN3 and a molecular weight of 263.36 g/mol. Its IUPAC name is N-[2-(1-ethyl-5-fluorobenzimidazol-2-yl)ethyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(1-ethyl-5-fluorobenzimidazol-2-yl)ethyl]-2-methylpropan-1-amine
PubChem CID82332259
Molecular FormulaC15H22FN3
Molecular Weight263.36 g/mol
Exact Mass263.18
IUPAC NameN-[2-(1-ethyl-5-fluorobenzimidazol-2-yl)ethyl]-2-methylpropan-1-amine
SMILESCCn1c(CCNCC(C)C)nc2cc(F)ccc21
InChIInChI=1S/C15H22FN3/c1-4-19-14-6-5-12(16)9-13(14)18-15(19)7-8-17-10-11(2)3/h5-6,9,11,17H,4,7-8,10H2,1-3H3
InChIKeyRLIKGOCNNDAJIT-UHFFFAOYSA-N
XLogP2.98
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methylpropan-1-amine
CID 79750930
N-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]propan-2-amine
CID 60837205
N-ethyl-2-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 62327256
(1-ethyl-5-fluorobenzimidazol-2-yl)methanol
CID 63756217
N-[2-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)ethyl]propan-1-amine
CID 82332245
N-ethyl-2-(5-fluoro-1-hexylbenzimidazol-2-yl)ethanamine
CID 82332232
2-methyl-N-[2-[5-methyl-1-(2-methylprop-2-enyl)benzimidazol-2-yl]ethyl]propan-1-amine
CID 82333162
N-[2-(5-fluoro-1-prop-2-ynylbenzimidazol-2-yl)ethyl]propan-2-amine
CID 82332273
N-[2-(1-ethyl-5-propan-2-yloxybenzimidazol-2-yl)ethyl]propan-1-amine
CID 82335320
3-[2-(1-ethyl-5-fluorobenzimidazol-2-yl)ethyl]aniline
CID 115339584
2-methyl-N-[2-(5-methyl-1-propan-2-ylbenzimidazol-2-yl)ethyl]propan-1-amine
CID 82333157
2-(2-chloroethyl)-1-ethyl-6-fluorobenzimidazole
CID 62377536

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-ethyl-5-fluorobenzimidazol-2-yl)ethyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-(1-ethyl-5-fluorobenzimidazol-2-yl)ethyl]-2-methylpropan-1-amine (CID 82332259) is N-[2-(1-ethyl-5-fluorobenzimidazol-2-yl)ethyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-(1-ethyl-5-fluorobenzimidazol-2-yl)ethyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-(1-ethyl-5-fluorobenzimidazol-2-yl)ethyl]-2-methylpropan-1-amine is CCn1c(CCNCC(C)C)nc2cc(F)ccc21.
What is the InChIKey of N-[2-(1-ethyl-5-fluorobenzimidazol-2-yl)ethyl]-2-methylpropan-1-amine?
The InChIKey is RLIKGOCNNDAJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3/c1-4-19-14-6-5-12(16)9-13(14)18-15(19)7-8-17-10-11(2)3/h5-6,9,11,17H,4,7-8,10H2,1-3H3.
What are the key properties of N-[2-(1-ethyl-5-fluorobenzimidazol-2-yl)ethyl]-2-methylpropan-1-amine?
N-[2-(1-ethyl-5-fluorobenzimidazol-2-yl)ethyl]-2-methylpropan-1-amine has a molecular weight of 263.36 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-ethyl-5-fluorobenzimidazol-2-yl)ethyl]-2-methylpropan-1-amine is sourced from PubChem (CID 82332259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).