N-ethyl-2-(4-fluoro-1-propylbenzimidazol-2-yl)propan-1-amine

C15H22FN3 — CID 62852788

IUPACN-ethyl-2-(4-fluoro-1-propylbenzimidazol-2-yl)propan-1-amine
SMILESCCCn1c(C(C)CNCC)nc2c(F)cccc21
InChIInChI=1S/C15H22FN3/c1-4-9-19-13-8-6-7-12(16)14(13)18-15(19)11(3)10-17-5-2/h6-8,11,17H,4-5,9-10H2,1-3H3
InChIKeyPIMYVKKQHUSIOU-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.30
Rot. Bonds6

About N-ethyl-2-(4-fluoro-1-propylbenzimidazol-2-yl)propan-1-amine

N-ethyl-2-(4-fluoro-1-propylbenzimidazol-2-yl)propan-1-amine (PubChem CID 62852788) has the molecular formula C15H22FN3 and a molecular weight of 263.36 g/mol. Its IUPAC name is N-ethyl-2-(4-fluoro-1-propylbenzimidazol-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(4-fluoro-1-propylbenzimidazol-2-yl)propan-1-amine
PubChem CID62852788
Molecular FormulaC15H22FN3
Molecular Weight263.36 g/mol
Exact Mass263.18
IUPAC NameN-ethyl-2-(4-fluoro-1-propylbenzimidazol-2-yl)propan-1-amine
SMILESCCCn1c(C(C)CNCC)nc2c(F)cccc21
InChIInChI=1S/C15H22FN3/c1-4-9-19-13-8-6-7-12(16)14(13)18-15(19)11(3)10-17-5-2/h6-8,11,17H,4-5,9-10H2,1-3H3
InChIKeyPIMYVKKQHUSIOU-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-fluoro-1-propylbenzimidazol-2-yl)propan-1-amine?
The IUPAC name of N-ethyl-2-(4-fluoro-1-propylbenzimidazol-2-yl)propan-1-amine (CID 62852788) is N-ethyl-2-(4-fluoro-1-propylbenzimidazol-2-yl)propan-1-amine.
What is the SMILES notation for N-ethyl-2-(4-fluoro-1-propylbenzimidazol-2-yl)propan-1-amine?
The canonical SMILES for N-ethyl-2-(4-fluoro-1-propylbenzimidazol-2-yl)propan-1-amine is CCCn1c(C(C)CNCC)nc2c(F)cccc21.
What is the InChIKey of N-ethyl-2-(4-fluoro-1-propylbenzimidazol-2-yl)propan-1-amine?
The InChIKey is PIMYVKKQHUSIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3/c1-4-9-19-13-8-6-7-12(16)14(13)18-15(19)11(3)10-17-5-2/h6-8,11,17H,4-5,9-10H2,1-3H3.
What are the key properties of N-ethyl-2-(4-fluoro-1-propylbenzimidazol-2-yl)propan-1-amine?
N-ethyl-2-(4-fluoro-1-propylbenzimidazol-2-yl)propan-1-amine has a molecular weight of 263.36 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-fluoro-1-propylbenzimidazol-2-yl)propan-1-amine is sourced from PubChem (CID 62852788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).