1-[5-ethyl-1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethanamine

C18H20FN3 — CID 82333524

IUPAC1-[5-ethyl-1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethanamine
SMILESCCc1ccc2c(c1)nc(C(C)N)n2Cc1ccccc1F
InChIInChI=1S/C18H20FN3/c1-3-13-8-9-17-16(10-13)21-18(12(2)20)22(17)11-14-6-4-5-7-15(14)19/h4-10,12H,3,11,20H2,1-2H3
InChIKeyKCKSGOQLPORIET-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.81
Rot. Bonds4

About 1-[5-ethyl-1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethanamine

1-[5-ethyl-1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethanamine (PubChem CID 82333524) has the molecular formula C18H20FN3 and a molecular weight of 297.38 g/mol. Its IUPAC name is 1-[5-ethyl-1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[5-ethyl-1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethanamine
PubChem CID82333524
Molecular FormulaC18H20FN3
Molecular Weight297.38 g/mol
Exact Mass297.16
IUPAC Name1-[5-ethyl-1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethanamine
SMILESCCc1ccc2c(c1)nc(C(C)N)n2Cc1ccccc1F
InChIInChI=1S/C18H20FN3/c1-3-13-8-9-17-16(10-13)21-18(12(2)20)22(17)11-14-6-4-5-7-15(14)19/h4-10,12H,3,11,20H2,1-2H3
InChIKeyKCKSGOQLPORIET-UHFFFAOYSA-N
XLogP3.81
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-ethyl-1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethanamine
CID 82333467
[5-ethyl-1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methanamine
CID 82333492
1-[5-amino-1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethanol
CID 62591100
1-[5-ethyl-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]ethanamine
CID 82333541
1-[5-methoxy-1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethanamine
CID 82334348
(1S)-1-[5,6-dichloro-1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]ethanamine
CID 54758434
(1S)-1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]ethanamine
CID 54757557
1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethanamine
CID 82024681
1-[(2-fluorophenyl)methyl]-2-(1-phenoxyethyl)benzimidazole
CID 18877735
(1S)-1-[1-[(3-fluorophenyl)methyl]-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine
CID 54757558
2-(1,5-diethylbenzimidazol-2-yl)ethanamine
CID 82333476
1-(5-ethyl-1-propylbenzimidazol-2-yl)propan-1-amine
CID 82333614

Frequently Asked Questions

What is the IUPAC name of 1-[5-ethyl-1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethanamine?
The IUPAC name of 1-[5-ethyl-1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethanamine (CID 82333524) is 1-[5-ethyl-1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethanamine.
What is the SMILES notation for 1-[5-ethyl-1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethanamine?
The canonical SMILES for 1-[5-ethyl-1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethanamine is CCc1ccc2c(c1)nc(C(C)N)n2Cc1ccccc1F.
What is the InChIKey of 1-[5-ethyl-1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethanamine?
The InChIKey is KCKSGOQLPORIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3/c1-3-13-8-9-17-16(10-13)21-18(12(2)20)22(17)11-14-6-4-5-7-15(14)19/h4-10,12H,3,11,20H2,1-2H3.
What are the key properties of 1-[5-ethyl-1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethanamine?
1-[5-ethyl-1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethanamine has a molecular weight of 297.38 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-ethyl-1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethanamine is sourced from PubChem (CID 82333524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).