1-(1-methylbenzimidazol-5-yl)-2-piperazin-1-ylethanol

C14H20N4O — CID 82500614

IUPAC1-(1-methylbenzimidazol-5-yl)-2-piperazin-1-ylethanol
SMILESCn1cnc2cc(C(O)CN3CCNCC3)ccc21
InChIInChI=1S/C14H20N4O/c1-17-10-16-12-8-11(2-3-13(12)17)14(19)9-18-6-4-15-5-7-18/h2-3,8,10,14-15,19H,4-7,9H2,1H3
InChIKeyAQFOJFSEHFMDMY-UHFFFAOYSA-N
MW260.34 g/mol
LogP0.51
Rot. Bonds3

About 1-(1-methylbenzimidazol-5-yl)-2-piperazin-1-ylethanol

1-(1-methylbenzimidazol-5-yl)-2-piperazin-1-ylethanol (PubChem CID 82500614) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-(1-methylbenzimidazol-5-yl)-2-piperazin-1-ylethanol.

Molecular Properties

Compound Name1-(1-methylbenzimidazol-5-yl)-2-piperazin-1-ylethanol
PubChem CID82500614
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name1-(1-methylbenzimidazol-5-yl)-2-piperazin-1-ylethanol
SMILESCn1cnc2cc(C(O)CN3CCNCC3)ccc21
InChIInChI=1S/C14H20N4O/c1-17-10-16-12-8-11(2-3-13(12)17)14(19)9-18-6-4-15-5-7-18/h2-3,8,10,14-15,19H,4-7,9H2,1H3
InChIKeyAQFOJFSEHFMDMY-UHFFFAOYSA-N
XLogP0.51
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-hydroxy-3-(1-methylbenzimidazol-5-yl)propanoic acid
CID 95997414
3-(methylamino)-1-(1-methylbenzimidazol-5-yl)propan-1-ol
CID 82493892
4-hydroxy-4-(1-methylbenzimidazol-5-yl)butanoic acid
CID 82347089
1-(3-methylphenyl)-2-piperazin-1-ylethanol
CID 3677974
1-(4-iodophenyl)-2-piperazin-1-ylethanol
CID 3894753
1-(1-methylpyrrol-3-yl)-2-piperazin-1-ylethanol
CID 82283971
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-piperazin-1-ylethanol
CID 3261136
1-methyl-6-(2-piperazin-1-ylethyl)benzimidazole
CID 117363225
(1S)-1-(1-methylbenzimidazol-5-yl)ethanamine
CID 95992488
1-methyl-5-(1-piperazin-1-ylpropan-2-yl)indole
CID 116996220
2-piperazin-1-yl-1-[4-(trifluoromethyl)phenyl]ethanol
CID 4311567
[1-[amino-(1-methylbenzimidazol-5-yl)methyl]cyclopropyl]methanol
CID 116943274

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylbenzimidazol-5-yl)-2-piperazin-1-ylethanol?
The IUPAC name of 1-(1-methylbenzimidazol-5-yl)-2-piperazin-1-ylethanol (CID 82500614) is 1-(1-methylbenzimidazol-5-yl)-2-piperazin-1-ylethanol.
What is the SMILES notation for 1-(1-methylbenzimidazol-5-yl)-2-piperazin-1-ylethanol?
The canonical SMILES for 1-(1-methylbenzimidazol-5-yl)-2-piperazin-1-ylethanol is Cn1cnc2cc(C(O)CN3CCNCC3)ccc21.
What is the InChIKey of 1-(1-methylbenzimidazol-5-yl)-2-piperazin-1-ylethanol?
The InChIKey is AQFOJFSEHFMDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-17-10-16-12-8-11(2-3-13(12)17)14(19)9-18-6-4-15-5-7-18/h2-3,8,10,14-15,19H,4-7,9H2,1H3.
What are the key properties of 1-(1-methylbenzimidazol-5-yl)-2-piperazin-1-ylethanol?
1-(1-methylbenzimidazol-5-yl)-2-piperazin-1-ylethanol has a molecular weight of 260.34 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylbenzimidazol-5-yl)-2-piperazin-1-ylethanol is sourced from PubChem (CID 82500614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).