3-(1-ethyl-6-fluorobenzimidazol-2-yl)-2-methoxypropan-1-amine

C13H18FN3O — CID 103153985

IUPAC3-(1-ethyl-6-fluorobenzimidazol-2-yl)-2-methoxypropan-1-amine
SMILESCCn1c(CC(CN)OC)nc2ccc(F)cc21
InChIInChI=1S/C13H18FN3O/c1-3-17-12-6-9(14)4-5-11(12)16-13(17)7-10(8-15)18-2/h4-6,10H,3,7-8,15H2,1-2H3
InChIKeyNPQULBHUINPTCN-UHFFFAOYSA-N
MW251.30 g/mol
LogP1.71
Rot. Bonds5

About 3-(1-ethyl-6-fluorobenzimidazol-2-yl)-2-methoxypropan-1-amine

3-(1-ethyl-6-fluorobenzimidazol-2-yl)-2-methoxypropan-1-amine (PubChem CID 103153985) has the molecular formula C13H18FN3O and a molecular weight of 251.30 g/mol. Its IUPAC name is 3-(1-ethyl-6-fluorobenzimidazol-2-yl)-2-methoxypropan-1-amine.

Molecular Properties

Compound Name3-(1-ethyl-6-fluorobenzimidazol-2-yl)-2-methoxypropan-1-amine
PubChem CID103153985
Molecular FormulaC13H18FN3O
Molecular Weight251.30 g/mol
Exact Mass251.14
IUPAC Name3-(1-ethyl-6-fluorobenzimidazol-2-yl)-2-methoxypropan-1-amine
SMILESCCn1c(CC(CN)OC)nc2ccc(F)cc21
InChIInChI=1S/C13H18FN3O/c1-3-17-12-6-9(14)4-5-11(12)16-13(17)7-10(8-15)18-2/h4-6,10H,3,7-8,15H2,1-2H3
InChIKeyNPQULBHUINPTCN-UHFFFAOYSA-N
XLogP1.71
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-3-(6-fluoro-1-methylbenzimidazol-2-yl)propan-1-amine
CID 114227022
3-(3-ethylimidazo[4,5-b]pyridin-2-yl)-2-methoxypropan-1-amine
CID 103153994
2-(2-chloroethyl)-1-ethyl-6-fluorobenzimidazole
CID 62377536
ethyl 2-(1-ethyl-6-fluorobenzimidazol-2-yl)acetate
CID 79474955
2-(1-ethyl-6-fluorobenzimidazol-2-yl)pentan-1-amine
CID 65220732
1-[(1-ethyl-6-fluorobenzimidazol-2-yl)methyl]cyclohexan-1-amine
CID 64672416
3-(6-chloro-1-ethylbenzimidazol-2-yl)-2-methylpropan-1-amine
CID 113316610
N-[(1-ethyl-6-fluorobenzimidazol-2-yl)methyl]cyclopentanamine
CID 55068076
1-(1-ethyl-6-fluorobenzimidazol-2-yl)butan-1-amine
CID 62377244
methyl 1-ethyl-6-fluorobenzimidazole-2-carboxylate
CID 112617601
3-(4-fluoro-1-propylbenzimidazol-2-yl)-2-methoxypropan-1-amine
CID 103153970
(6-fluoro-1-methylbenzimidazol-2-yl)methanamine
CID 62377229

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethyl-6-fluorobenzimidazol-2-yl)-2-methoxypropan-1-amine?
The IUPAC name of 3-(1-ethyl-6-fluorobenzimidazol-2-yl)-2-methoxypropan-1-amine (CID 103153985) is 3-(1-ethyl-6-fluorobenzimidazol-2-yl)-2-methoxypropan-1-amine.
What is the SMILES notation for 3-(1-ethyl-6-fluorobenzimidazol-2-yl)-2-methoxypropan-1-amine?
The canonical SMILES for 3-(1-ethyl-6-fluorobenzimidazol-2-yl)-2-methoxypropan-1-amine is CCn1c(CC(CN)OC)nc2ccc(F)cc21.
What is the InChIKey of 3-(1-ethyl-6-fluorobenzimidazol-2-yl)-2-methoxypropan-1-amine?
The InChIKey is NPQULBHUINPTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O/c1-3-17-12-6-9(14)4-5-11(12)16-13(17)7-10(8-15)18-2/h4-6,10H,3,7-8,15H2,1-2H3.
What are the key properties of 3-(1-ethyl-6-fluorobenzimidazol-2-yl)-2-methoxypropan-1-amine?
3-(1-ethyl-6-fluorobenzimidazol-2-yl)-2-methoxypropan-1-amine has a molecular weight of 251.30 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethyl-6-fluorobenzimidazol-2-yl)-2-methoxypropan-1-amine is sourced from PubChem (CID 103153985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).