3-amino-3-(1-ethyl-5-fluorobenzimidazol-2-yl)propan-1-ol

C12H16FN3O — CID 61230255

IUPAC3-amino-3-(1-ethyl-5-fluorobenzimidazol-2-yl)propan-1-ol
SMILESCCn1c(C(N)CCO)nc2cc(F)ccc21
InChIInChI=1S/C12H16FN3O/c1-2-16-11-4-3-8(13)7-10(11)15-12(16)9(14)5-6-17/h3-4,7,9,17H,2,5-6,14H2,1H3
InChIKeyNPMOVHXFDHOHMW-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.58
Rot. Bonds4

About 3-amino-3-(1-ethyl-5-fluorobenzimidazol-2-yl)propan-1-ol

3-amino-3-(1-ethyl-5-fluorobenzimidazol-2-yl)propan-1-ol (PubChem CID 61230255) has the molecular formula C12H16FN3O and a molecular weight of 237.28 g/mol. Its IUPAC name is 3-amino-3-(1-ethyl-5-fluorobenzimidazol-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-3-(1-ethyl-5-fluorobenzimidazol-2-yl)propan-1-ol
PubChem CID61230255
Molecular FormulaC12H16FN3O
Molecular Weight237.28 g/mol
Exact Mass237.13
IUPAC Name3-amino-3-(1-ethyl-5-fluorobenzimidazol-2-yl)propan-1-ol
SMILESCCn1c(C(N)CCO)nc2cc(F)ccc21
InChIInChI=1S/C12H16FN3O/c1-2-16-11-4-3-8(13)7-10(11)15-12(16)9(14)5-6-17/h3-4,7,9,17H,2,5-6,14H2,1H3
InChIKeyNPMOVHXFDHOHMW-UHFFFAOYSA-N
XLogP1.58
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethyl-6-fluorobenzimidazol-2-yl)butan-1-amine
CID 62377244
(1-ethyl-5-fluorobenzimidazol-2-yl)methanol
CID 63756217
1-(1-ethyl-6-fluorobenzimidazol-2-yl)-3-methylsulfonylpropan-1-amine
CID 62377585
1-(5-fluoro-1-prop-2-ynylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine
CID 82332151
3-amino-3-(1-propylbenzimidazol-2-yl)propan-1-ol
CID 61228731
2-[2-(1-aminobutyl)-5-methylbenzimidazol-1-yl]ethanol
CID 82333051
1-(5-fluoro-1-propylbenzimidazol-2-yl)-2-phenylethanamine
CID 82331998
1-(1-butyl-5-fluorobenzimidazol-2-yl)ethanamine
CID 82332092
1-(1-ethyl-5-propan-2-yloxybenzimidazol-2-yl)butan-1-amine
CID 82335282
1-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)propan-1-amine
CID 54920104
(3S)-3-cyclopropyl-3-[(1-ethyl-5-fluorobenzimidazol-2-yl)methylamino]propan-1-ol
CID 97307223
1-(1-ethyl-5-propan-2-yloxybenzimidazol-2-yl)pentan-1-amine
CID 82335299

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(1-ethyl-5-fluorobenzimidazol-2-yl)propan-1-ol?
The IUPAC name of 3-amino-3-(1-ethyl-5-fluorobenzimidazol-2-yl)propan-1-ol (CID 61230255) is 3-amino-3-(1-ethyl-5-fluorobenzimidazol-2-yl)propan-1-ol.
What is the SMILES notation for 3-amino-3-(1-ethyl-5-fluorobenzimidazol-2-yl)propan-1-ol?
The canonical SMILES for 3-amino-3-(1-ethyl-5-fluorobenzimidazol-2-yl)propan-1-ol is CCn1c(C(N)CCO)nc2cc(F)ccc21.
What is the InChIKey of 3-amino-3-(1-ethyl-5-fluorobenzimidazol-2-yl)propan-1-ol?
The InChIKey is NPMOVHXFDHOHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O/c1-2-16-11-4-3-8(13)7-10(11)15-12(16)9(14)5-6-17/h3-4,7,9,17H,2,5-6,14H2,1H3.
What are the key properties of 3-amino-3-(1-ethyl-5-fluorobenzimidazol-2-yl)propan-1-ol?
3-amino-3-(1-ethyl-5-fluorobenzimidazol-2-yl)propan-1-ol has a molecular weight of 237.28 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(1-ethyl-5-fluorobenzimidazol-2-yl)propan-1-ol is sourced from PubChem (CID 61230255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).