[6-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]-1H-benzimidazol-2-yl]methanol

C21H25N3O — CID 95216355

IUPAC[6-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]-1H-benzimidazol-2-yl]methanol
SMILESC[C@@H](c1ccc(-c2ccc3nc(CO)[nH]c3c2)cc1)N1CCCCC1
InChIInChI=1S/C21H25N3O/c1-15(24-11-3-2-4-12-24)16-5-7-17(8-6-16)18-9-10-19-20(13-18)23-21(14-25)22-19/h5-10,13,15,25H,2-4,11-12,14H2,1H3,(H,22,23)/t15-/m0/s1
InChIKeyPJMCPWPVWUPBTF-HNNXBMFYSA-N
MW335.45 g/mol
LogP4.27
Rot. Bonds4

About [6-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]-1H-benzimidazol-2-yl]methanol

[6-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]-1H-benzimidazol-2-yl]methanol (PubChem CID 95216355) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is [6-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]-1H-benzimidazol-2-yl]methanol.

Molecular Properties

Compound Name[6-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]-1H-benzimidazol-2-yl]methanol
PubChem CID95216355
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name[6-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]-1H-benzimidazol-2-yl]methanol
SMILESC[C@@H](c1ccc(-c2ccc3nc(CO)[nH]c3c2)cc1)N1CCCCC1
InChIInChI=1S/C21H25N3O/c1-15(24-11-3-2-4-12-24)16-5-7-17(8-6-16)18-9-10-19-20(13-18)23-21(14-25)22-19/h5-10,13,15,25H,2-4,11-12,14H2,1H3,(H,22,23)/t15-/m0/s1
InChIKeyPJMCPWPVWUPBTF-HNNXBMFYSA-N
XLogP4.27
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]-1H-benzimidazol-2-yl]methanol?
The IUPAC name of [6-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]-1H-benzimidazol-2-yl]methanol (CID 95216355) is [6-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]-1H-benzimidazol-2-yl]methanol.
What is the SMILES notation for [6-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]-1H-benzimidazol-2-yl]methanol?
The canonical SMILES for [6-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]-1H-benzimidazol-2-yl]methanol is C[C@@H](c1ccc(-c2ccc3nc(CO)[nH]c3c2)cc1)N1CCCCC1.
What is the InChIKey of [6-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]-1H-benzimidazol-2-yl]methanol?
The InChIKey is PJMCPWPVWUPBTF-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-15(24-11-3-2-4-12-24)16-5-7-17(8-6-16)18-9-10-19-20(13-18)23-21(14-25)22-19/h5-10,13,15,25H,2-4,11-12,14H2,1H3,(H,22,23)/t15-/m0/s1.
What are the key properties of [6-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]-1H-benzimidazol-2-yl]methanol?
[6-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]-1H-benzimidazol-2-yl]methanol has a molecular weight of 335.45 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[4-[(1S)-1-piperidin-1-ylethyl]phenyl]-1H-benzimidazol-2-yl]methanol is sourced from PubChem (CID 95216355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).