2-[2-(1-aminopropyl)-5-chlorobenzimidazol-1-yl]ethanol

C12H16ClN3O — CID 82332591

IUPAC2-[2-(1-aminopropyl)-5-chlorobenzimidazol-1-yl]ethanol
SMILESCCC(N)c1nc2cc(Cl)ccc2n1CCO
InChIInChI=1S/C12H16ClN3O/c1-2-9(14)12-15-10-7-8(13)3-4-11(10)16(12)5-6-17/h3-4,7,9,17H,2,5-6,14H2,1H3
InChIKeyIZLXRAYRWFIKLG-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.09
Rot. Bonds4

About 2-[2-(1-aminopropyl)-5-chlorobenzimidazol-1-yl]ethanol

2-[2-(1-aminopropyl)-5-chlorobenzimidazol-1-yl]ethanol (PubChem CID 82332591) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is 2-[2-(1-aminopropyl)-5-chlorobenzimidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[2-(1-aminopropyl)-5-chlorobenzimidazol-1-yl]ethanol
PubChem CID82332591
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Name2-[2-(1-aminopropyl)-5-chlorobenzimidazol-1-yl]ethanol
SMILESCCC(N)c1nc2cc(Cl)ccc2n1CCO
InChIInChI=1S/C12H16ClN3O/c1-2-9(14)12-15-10-7-8(13)3-4-11(10)16(12)5-6-17/h3-4,7,9,17H,2,5-6,14H2,1H3
InChIKeyIZLXRAYRWFIKLG-UHFFFAOYSA-N
XLogP2.09
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(1-aminobutyl)-5-methylbenzimidazol-1-yl]ethanol
CID 82333051
3-[5-chloro-2-(1-hydroxyethyl)benzimidazol-1-yl]propan-1-ol
CID 46308438
(1R)-1-[5-chloro-1-(2-ethoxyethyl)benzimidazol-2-yl]ethanol
CID 51977609
2-butan-2-yl-5-chloro-1-propylbenzimidazole
CID 46310727
1-(5-ethyl-1-propylbenzimidazol-2-yl)propan-1-amine
CID 82333614
2-[5-chloro-2-(chloromethyl)benzimidazol-1-yl]ethanol
CID 28819102
2-[6-chloro-2-(1-phenylpropyl)benzimidazol-1-yl]ethanol
CID 46308191
3-[5-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]propan-1-ol
CID 46308166
2-(2-butan-2-yl-5-chlorobenzimidazol-1-yl)-N,N-diethylethanamine
CID 46309377
ethyl 2-(5-chloro-1-ethylbenzimidazol-2-yl)propanoate
CID 79474797
(5-chloro-1-ethylbenzimidazol-2-yl)-cyclohexylmethanamine
CID 61015427
1-(1-propylbenzimidazol-2-yl)propan-1-amine
CID 43470294

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-aminopropyl)-5-chlorobenzimidazol-1-yl]ethanol?
The IUPAC name of 2-[2-(1-aminopropyl)-5-chlorobenzimidazol-1-yl]ethanol (CID 82332591) is 2-[2-(1-aminopropyl)-5-chlorobenzimidazol-1-yl]ethanol.
What is the SMILES notation for 2-[2-(1-aminopropyl)-5-chlorobenzimidazol-1-yl]ethanol?
The canonical SMILES for 2-[2-(1-aminopropyl)-5-chlorobenzimidazol-1-yl]ethanol is CCC(N)c1nc2cc(Cl)ccc2n1CCO.
What is the InChIKey of 2-[2-(1-aminopropyl)-5-chlorobenzimidazol-1-yl]ethanol?
The InChIKey is IZLXRAYRWFIKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c1-2-9(14)12-15-10-7-8(13)3-4-11(10)16(12)5-6-17/h3-4,7,9,17H,2,5-6,14H2,1H3.
What are the key properties of 2-[2-(1-aminopropyl)-5-chlorobenzimidazol-1-yl]ethanol?
2-[2-(1-aminopropyl)-5-chlorobenzimidazol-1-yl]ethanol has a molecular weight of 253.73 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-aminopropyl)-5-chlorobenzimidazol-1-yl]ethanol is sourced from PubChem (CID 82332591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).