3-(4-fluoro-1-propylbenzimidazol-2-yl)-2-methoxypropan-1-amine

C14H20FN3O — CID 103153970

IUPAC3-(4-fluoro-1-propylbenzimidazol-2-yl)-2-methoxypropan-1-amine
SMILESCCCn1c(CC(CN)OC)nc2c(F)cccc21
InChIInChI=1S/C14H20FN3O/c1-3-7-18-12-6-4-5-11(15)14(12)17-13(18)8-10(9-16)19-2/h4-6,10H,3,7-9,16H2,1-2H3
InChIKeyFBKAMSZUXHNYTF-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.10
Rot. Bonds6

About 3-(4-fluoro-1-propylbenzimidazol-2-yl)-2-methoxypropan-1-amine

3-(4-fluoro-1-propylbenzimidazol-2-yl)-2-methoxypropan-1-amine (PubChem CID 103153970) has the molecular formula C14H20FN3O and a molecular weight of 265.33 g/mol. Its IUPAC name is 3-(4-fluoro-1-propylbenzimidazol-2-yl)-2-methoxypropan-1-amine.

Molecular Properties

Compound Name3-(4-fluoro-1-propylbenzimidazol-2-yl)-2-methoxypropan-1-amine
PubChem CID103153970
Molecular FormulaC14H20FN3O
Molecular Weight265.33 g/mol
Exact Mass265.16
IUPAC Name3-(4-fluoro-1-propylbenzimidazol-2-yl)-2-methoxypropan-1-amine
SMILESCCCn1c(CC(CN)OC)nc2c(F)cccc21
InChIInChI=1S/C14H20FN3O/c1-3-7-18-12-6-4-5-11(15)14(12)17-13(18)8-10(9-16)19-2/h4-6,10H,3,7-9,16H2,1-2H3
InChIKeyFBKAMSZUXHNYTF-UHFFFAOYSA-N
XLogP2.10
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-3-(4-fluoro-1-methylbenzimidazol-2-yl)propan-1-amine
CID 114227019
4-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]aniline
CID 60784772
3-(7-chloro-1-propylbenzimidazol-2-yl)-2-methoxypropan-1-amine
CID 103153975
[1-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]cyclobutyl]methanamine
CID 81162315
2-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]phenol
CID 80721603
1-[(4-fluoro-1-propylbenzimidazol-2-yl)methyl]cyclohexan-1-amine
CID 64672217
ethyl 2-(4-fluoro-1-propylbenzimidazol-2-yl)propanoate
CID 79475283
2-(chloromethyl)-4-fluoro-1-pentylbenzimidazole
CID 54920921
3-(1-ethyl-6-fluorobenzimidazol-2-yl)-2-methoxypropan-1-amine
CID 103153985
ethyl 2-(4-fluoro-1-propylbenzimidazol-2-yl)butanoate
CID 79480808
2-methoxy-3-(4-propyl-1,2,4-triazol-3-yl)propan-1-amine
CID 103160297
N-ethyl-1-(1-ethyl-4-fluorobenzimidazol-2-yl)propan-2-amine
CID 62826190

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-1-propylbenzimidazol-2-yl)-2-methoxypropan-1-amine?
The IUPAC name of 3-(4-fluoro-1-propylbenzimidazol-2-yl)-2-methoxypropan-1-amine (CID 103153970) is 3-(4-fluoro-1-propylbenzimidazol-2-yl)-2-methoxypropan-1-amine.
What is the SMILES notation for 3-(4-fluoro-1-propylbenzimidazol-2-yl)-2-methoxypropan-1-amine?
The canonical SMILES for 3-(4-fluoro-1-propylbenzimidazol-2-yl)-2-methoxypropan-1-amine is CCCn1c(CC(CN)OC)nc2c(F)cccc21.
What is the InChIKey of 3-(4-fluoro-1-propylbenzimidazol-2-yl)-2-methoxypropan-1-amine?
The InChIKey is FBKAMSZUXHNYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O/c1-3-7-18-12-6-4-5-11(15)14(12)17-13(18)8-10(9-16)19-2/h4-6,10H,3,7-9,16H2,1-2H3.
What are the key properties of 3-(4-fluoro-1-propylbenzimidazol-2-yl)-2-methoxypropan-1-amine?
3-(4-fluoro-1-propylbenzimidazol-2-yl)-2-methoxypropan-1-amine has a molecular weight of 265.33 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-1-propylbenzimidazol-2-yl)-2-methoxypropan-1-amine is sourced from PubChem (CID 103153970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).