2-[1-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]-3H-benzimidazol-5-ol

C15H22N4O2 — CID 82336102

IUPAC2-[1-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]-3H-benzimidazol-5-ol
SMILESCC(c1nc2ccc(O)cc2[nH]1)N1CCN(CCO)CC1
InChIInChI=1S/C15H22N4O2/c1-11(19-6-4-18(5-7-19)8-9-20)15-16-13-3-2-12(21)10-14(13)17-15/h2-3,10-11,20-21H,4-9H2,1H3,(H,16,17)
InChIKeyUDUWHHROGACYHO-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.94
Rot. Bonds4

About 2-[1-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]-3H-benzimidazol-5-ol

2-[1-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]-3H-benzimidazol-5-ol (PubChem CID 82336102) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-[1-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]-3H-benzimidazol-5-ol.

Molecular Properties

Compound Name2-[1-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]-3H-benzimidazol-5-ol
PubChem CID82336102
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name2-[1-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]-3H-benzimidazol-5-ol
SMILESCC(c1nc2ccc(O)cc2[nH]1)N1CCN(CCO)CC1
InChIInChI=1S/C15H22N4O2/c1-11(19-6-4-18(5-7-19)8-9-20)15-16-13-3-2-12(21)10-14(13)17-15/h2-3,10-11,20-21H,4-9H2,1H3,(H,16,17)
InChIKeyUDUWHHROGACYHO-UHFFFAOYSA-N
XLogP0.94
TPSA75.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]-3H-benzimidazol-5-ol?
The IUPAC name of 2-[1-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]-3H-benzimidazol-5-ol (CID 82336102) is 2-[1-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]-3H-benzimidazol-5-ol.
What is the SMILES notation for 2-[1-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]-3H-benzimidazol-5-ol?
The canonical SMILES for 2-[1-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]-3H-benzimidazol-5-ol is CC(c1nc2ccc(O)cc2[nH]1)N1CCN(CCO)CC1.
What is the InChIKey of 2-[1-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]-3H-benzimidazol-5-ol?
The InChIKey is UDUWHHROGACYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-11(19-6-4-18(5-7-19)8-9-20)15-16-13-3-2-12(21)10-14(13)17-15/h2-3,10-11,20-21H,4-9H2,1H3,(H,16,17).
What are the key properties of 2-[1-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]-3H-benzimidazol-5-ol?
2-[1-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]-3H-benzimidazol-5-ol has a molecular weight of 290.37 g/mol, XLogP of 0.94, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]-3H-benzimidazol-5-ol is sourced from PubChem (CID 82336102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).