[2-[2-[4-(1H-benzimidazol-4-yl)piperazin-1-yl]ethyl]phenyl]methanol

C20H24N4O — CID 167854110

IUPAC[2-[2-[4-(1H-benzimidazol-4-yl)piperazin-1-yl]ethyl]phenyl]methanol
SMILESOCc1ccccc1CCN1CCN(c2cccc3[nH]cnc23)CC1
InChIInChI=1S/C20H24N4O/c25-14-17-5-2-1-4-16(17)8-9-23-10-12-24(13-11-23)19-7-3-6-18-20(19)22-15-21-18/h1-7,15,25H,8-14H2,(H,21,22)
InChIKeyUUDSOFJIHKXGOU-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.42
Rot. Bonds5

About [2-[2-[4-(1H-benzimidazol-4-yl)piperazin-1-yl]ethyl]phenyl]methanol

[2-[2-[4-(1H-benzimidazol-4-yl)piperazin-1-yl]ethyl]phenyl]methanol (PubChem CID 167854110) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is [2-[2-[4-(1H-benzimidazol-4-yl)piperazin-1-yl]ethyl]phenyl]methanol.

Molecular Properties

Compound Name[2-[2-[4-(1H-benzimidazol-4-yl)piperazin-1-yl]ethyl]phenyl]methanol
PubChem CID167854110
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name[2-[2-[4-(1H-benzimidazol-4-yl)piperazin-1-yl]ethyl]phenyl]methanol
SMILESOCc1ccccc1CCN1CCN(c2cccc3[nH]cnc23)CC1
InChIInChI=1S/C20H24N4O/c25-14-17-5-2-1-4-16(17)8-9-23-10-12-24(13-11-23)19-7-3-6-18-20(19)22-15-21-18/h1-7,15,25H,8-14H2,(H,21,22)
InChIKeyUUDSOFJIHKXGOU-UHFFFAOYSA-N
XLogP2.42
TPSA55.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[2-[4-(1H-benzimidazol-4-yl)piperazin-1-yl]ethyl]phenyl]methanol?
The IUPAC name of [2-[2-[4-(1H-benzimidazol-4-yl)piperazin-1-yl]ethyl]phenyl]methanol (CID 167854110) is [2-[2-[4-(1H-benzimidazol-4-yl)piperazin-1-yl]ethyl]phenyl]methanol.
What is the SMILES notation for [2-[2-[4-(1H-benzimidazol-4-yl)piperazin-1-yl]ethyl]phenyl]methanol?
The canonical SMILES for [2-[2-[4-(1H-benzimidazol-4-yl)piperazin-1-yl]ethyl]phenyl]methanol is OCc1ccccc1CCN1CCN(c2cccc3[nH]cnc23)CC1.
What is the InChIKey of [2-[2-[4-(1H-benzimidazol-4-yl)piperazin-1-yl]ethyl]phenyl]methanol?
The InChIKey is UUDSOFJIHKXGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c25-14-17-5-2-1-4-16(17)8-9-23-10-12-24(13-11-23)19-7-3-6-18-20(19)22-15-21-18/h1-7,15,25H,8-14H2,(H,21,22).
What are the key properties of [2-[2-[4-(1H-benzimidazol-4-yl)piperazin-1-yl]ethyl]phenyl]methanol?
[2-[2-[4-(1H-benzimidazol-4-yl)piperazin-1-yl]ethyl]phenyl]methanol has a molecular weight of 336.44 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[4-(1H-benzimidazol-4-yl)piperazin-1-yl]ethyl]phenyl]methanol is sourced from PubChem (CID 167854110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).