3-[2-(2-aminoethyl)-5-chlorobenzimidazol-1-yl]propan-1-ol

C12H16ClN3O — CID 46308503

IUPAC3-[2-(2-aminoethyl)-5-chlorobenzimidazol-1-yl]propan-1-ol
SMILESNCCc1nc2cc(Cl)ccc2n1CCCO
InChIInChI=1S/C12H16ClN3O/c13-9-2-3-11-10(8-9)15-12(4-5-14)16(11)6-1-7-17/h2-3,8,17H,1,4-7,14H2
InChIKeyXRFODLOCUHXREI-UHFFFAOYSA-N
MW253.73 g/mol
LogP1.57
Rot. Bonds5

About 3-[2-(2-aminoethyl)-5-chlorobenzimidazol-1-yl]propan-1-ol

3-[2-(2-aminoethyl)-5-chlorobenzimidazol-1-yl]propan-1-ol (PubChem CID 46308503) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is 3-[2-(2-aminoethyl)-5-chlorobenzimidazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[2-(2-aminoethyl)-5-chlorobenzimidazol-1-yl]propan-1-ol
PubChem CID46308503
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Name3-[2-(2-aminoethyl)-5-chlorobenzimidazol-1-yl]propan-1-ol
SMILESNCCc1nc2cc(Cl)ccc2n1CCCO
InChIInChI=1S/C12H16ClN3O/c13-9-2-3-11-10(8-9)15-12(4-5-14)16(11)6-1-7-17/h2-3,8,17H,1,4-7,14H2
InChIKeyXRFODLOCUHXREI-UHFFFAOYSA-N
XLogP1.57
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(2-aminoethyl)-6-chlorobenzimidazol-1-yl]propan-1-ol
CID 46308504
3-[5-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]propan-1-ol
CID 46308166
3-[5-amino-1-(3-hydroxypropyl)benzimidazol-2-yl]propan-1-ol
CID 43822520
2-[5-chloro-1-(3-ethoxypropyl)benzimidazol-2-yl]ethanamine
CID 46308773
3-[5-chloro-1-(3-methoxypropyl)benzimidazol-2-yl]propan-1-ol
CID 46308571
3-[5-chloro-2-(pyrrolidin-1-ylmethyl)benzimidazol-1-yl]propan-1-ol
CID 82311826
3-(5-chloro-1-hexylbenzimidazol-2-yl)propan-1-amine
CID 82332507
2-[5-chloro-2-(chloromethyl)benzimidazol-1-yl]ethanol
CID 28819102
2-(5-chloro-1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride
CID 71308073
3-[5-amino-2-(2-phenylethyl)benzimidazol-1-yl]propan-1-ol
CID 43912233
3-[5-chloro-2-(1-hydroxyethyl)benzimidazol-1-yl]propan-1-ol
CID 46308438
5-chloro-2-(chloromethyl)-1-(4-fluorobutyl)benzimidazole
CID 67992653

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-aminoethyl)-5-chlorobenzimidazol-1-yl]propan-1-ol?
The IUPAC name of 3-[2-(2-aminoethyl)-5-chlorobenzimidazol-1-yl]propan-1-ol (CID 46308503) is 3-[2-(2-aminoethyl)-5-chlorobenzimidazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[2-(2-aminoethyl)-5-chlorobenzimidazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[2-(2-aminoethyl)-5-chlorobenzimidazol-1-yl]propan-1-ol is NCCc1nc2cc(Cl)ccc2n1CCCO.
What is the InChIKey of 3-[2-(2-aminoethyl)-5-chlorobenzimidazol-1-yl]propan-1-ol?
The InChIKey is XRFODLOCUHXREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c13-9-2-3-11-10(8-9)15-12(4-5-14)16(11)6-1-7-17/h2-3,8,17H,1,4-7,14H2.
What are the key properties of 3-[2-(2-aminoethyl)-5-chlorobenzimidazol-1-yl]propan-1-ol?
3-[2-(2-aminoethyl)-5-chlorobenzimidazol-1-yl]propan-1-ol has a molecular weight of 253.73 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-aminoethyl)-5-chlorobenzimidazol-1-yl]propan-1-ol is sourced from PubChem (CID 46308503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).