3-(1-butyl-5-fluorobenzimidazol-2-yl)propan-1-ol

C14H19FN2O — CID 82332280

IUPAC3-(1-butyl-5-fluorobenzimidazol-2-yl)propan-1-ol
SMILESCCCCn1c(CCCO)nc2cc(F)ccc21
InChIInChI=1S/C14H19FN2O/c1-2-3-8-17-13-7-6-11(15)10-12(13)16-14(17)5-4-9-18/h6-7,10,18H,2-5,8-9H2,1H3
InChIKeyYJOMLHCOXWLHFC-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.90
Rot. Bonds6

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

3-(1-butyl-5-fluorobenzimidazol-2-yl)propan-1-ol (PubChem CID 82332280) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 3-(1-butyl-5-fluorobenzimidazol-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-(1-butyl-5-fluorobenzimidazol-2-yl)propan-1-ol
PubChem CID82332280
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name3-(1-butyl-5-fluorobenzimidazol-2-yl)propan-1-ol
SMILESCCCCn1c(CCCO)nc2cc(F)ccc21
InChIInChI=1S/C14H19FN2O/c1-2-3-8-17-13-7-6-11(15)10-12(13)16-14(17)5-4-9-18/h6-7,10,18H,2-5,8-9H2,1H3
InChIKeyYJOMLHCOXWLHFC-UHFFFAOYSA-N
XLogP2.90
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-pentyl-5-propan-2-ylbenzimidazol-2-yl)propan-1-ol
CID 82334105
N-ethyl-2-(5-fluoro-1-hexylbenzimidazol-2-yl)ethanamine
CID 82332232
2-[5-fluoro-2-(2-sulfanylethyl)benzimidazol-1-yl]ethanol
CID 82332433
3-[5-amino-1-(3-hydroxypropyl)benzimidazol-2-yl]propan-1-ol
CID 43822520
3-[1-[3-(dibutylamino)propyl]-5-(trifluoromethyl)benzimidazol-2-yl]propan-1-ol
CID 46309614
3-(2-butylbenzimidazol-1-yl)propan-1-ol
CID 82149501
[5-fluoro-1-(4-fluorobutyl)benzimidazol-2-yl]methanol
CID 90307140
(1-ethyl-5-fluorobenzimidazol-2-yl)methanol
CID 63756217
3-[5-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]propan-1-ol
CID 46308166
1-(1-butyl-5-fluorobenzimidazol-2-yl)ethanamine
CID 82332092
4-[5-(aminomethyl)-1-propylbenzimidazol-2-yl]butan-1-ol
CID 79199391
3-[5-chloro-1-(3-methoxypropyl)benzimidazol-2-yl]propan-1-ol
CID 46308571

Frequently Asked Questions

What is the IUPAC name of 3-(1-butyl-5-fluorobenzimidazol-2-yl)propan-1-ol?
The IUPAC name of 3-(1-butyl-5-fluorobenzimidazol-2-yl)propan-1-ol (CID 82332280) is 3-(1-butyl-5-fluorobenzimidazol-2-yl)propan-1-ol.
What is the SMILES notation for 3-(1-butyl-5-fluorobenzimidazol-2-yl)propan-1-ol?
The canonical SMILES for 3-(1-butyl-5-fluorobenzimidazol-2-yl)propan-1-ol is CCCCn1c(CCCO)nc2cc(F)ccc21.
What is the InChIKey of 3-(1-butyl-5-fluorobenzimidazol-2-yl)propan-1-ol?
The InChIKey is YJOMLHCOXWLHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-2-3-8-17-13-7-6-11(15)10-12(13)16-14(17)5-4-9-18/h6-7,10,18H,2-5,8-9H2,1H3.
What are the key properties of 3-(1-butyl-5-fluorobenzimidazol-2-yl)propan-1-ol?
3-(1-butyl-5-fluorobenzimidazol-2-yl)propan-1-ol has a molecular weight of 250.32 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-butyl-5-fluorobenzimidazol-2-yl)propan-1-ol is sourced from PubChem (CID 82332280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).