1-[5-(6,7-dihydro-5H-cyclopenta[f]benzimidazol-1-ylmethyl)-2-[(2S)-oxolan-2-yl]phenyl]ethanol

C23H26N2O2 — CID 73442636

IUPAC1-[5-(6,7-dihydro-5H-cyclopenta[f]benzimidazol-1-ylmethyl)-2-[(2S)-oxolan-2-yl]phenyl]ethanol
SMILESCC(O)c1cc(Cn2cnc3cc4c(cc32)CCC4)ccc1[C@@H]1CCCO1
InChIInChI=1S/C23H26N2O2/c1-15(26)20-10-16(7-8-19(20)23-6-3-9-27-23)13-25-14-24-21-11-17-4-2-5-18(17)12-22(21)25/h7-8,10-12,14-15,23,26H,2-6,9,13H2,1H3/t15?,23-/m0/s1
InChIKeyAUTJYOPJLYVXEQ-GMTBNIFVSA-N
MW362.47 g/mol
LogP4.48
Rot. Bonds4

About 1-[5-(6,7-dihydro-5H-cyclopenta[f]benzimidazol-1-ylmethyl)-2-[(2S)-oxolan-2-yl]phenyl]ethanol

1-[5-(6,7-dihydro-5H-cyclopenta[f]benzimidazol-1-ylmethyl)-2-[(2S)-oxolan-2-yl]phenyl]ethanol (PubChem CID 73442636) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 1-[5-(6,7-dihydro-5H-cyclopenta[f]benzimidazol-1-ylmethyl)-2-[(2S)-oxolan-2-yl]phenyl]ethanol.

Molecular Properties

Compound Name1-[5-(6,7-dihydro-5H-cyclopenta[f]benzimidazol-1-ylmethyl)-2-[(2S)-oxolan-2-yl]phenyl]ethanol
PubChem CID73442636
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name1-[5-(6,7-dihydro-5H-cyclopenta[f]benzimidazol-1-ylmethyl)-2-[(2S)-oxolan-2-yl]phenyl]ethanol
SMILESCC(O)c1cc(Cn2cnc3cc4c(cc32)CCC4)ccc1[C@@H]1CCCO1
InChIInChI=1S/C23H26N2O2/c1-15(26)20-10-16(7-8-19(20)23-6-3-9-27-23)13-25-14-24-21-11-17-4-2-5-18(17)12-22(21)25/h7-8,10-12,14-15,23,26H,2-6,9,13H2,1H3/t15?,23-/m0/s1
InChIKeyAUTJYOPJLYVXEQ-GMTBNIFVSA-N
XLogP4.48
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(6,7-dihydro-5H-cyclopenta[f]benzimidazol-1-ylmethyl)-2-[(2S)-oxolan-2-yl]phenyl]ethanol?
The IUPAC name of 1-[5-(6,7-dihydro-5H-cyclopenta[f]benzimidazol-1-ylmethyl)-2-[(2S)-oxolan-2-yl]phenyl]ethanol (CID 73442636) is 1-[5-(6,7-dihydro-5H-cyclopenta[f]benzimidazol-1-ylmethyl)-2-[(2S)-oxolan-2-yl]phenyl]ethanol.
What is the SMILES notation for 1-[5-(6,7-dihydro-5H-cyclopenta[f]benzimidazol-1-ylmethyl)-2-[(2S)-oxolan-2-yl]phenyl]ethanol?
The canonical SMILES for 1-[5-(6,7-dihydro-5H-cyclopenta[f]benzimidazol-1-ylmethyl)-2-[(2S)-oxolan-2-yl]phenyl]ethanol is CC(O)c1cc(Cn2cnc3cc4c(cc32)CCC4)ccc1[C@@H]1CCCO1.
What is the InChIKey of 1-[5-(6,7-dihydro-5H-cyclopenta[f]benzimidazol-1-ylmethyl)-2-[(2S)-oxolan-2-yl]phenyl]ethanol?
The InChIKey is AUTJYOPJLYVXEQ-GMTBNIFVSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-15(26)20-10-16(7-8-19(20)23-6-3-9-27-23)13-25-14-24-21-11-17-4-2-5-18(17)12-22(21)25/h7-8,10-12,14-15,23,26H,2-6,9,13H2,1H3/t15?,23-/m0/s1.
What are the key properties of 1-[5-(6,7-dihydro-5H-cyclopenta[f]benzimidazol-1-ylmethyl)-2-[(2S)-oxolan-2-yl]phenyl]ethanol?
1-[5-(6,7-dihydro-5H-cyclopenta[f]benzimidazol-1-ylmethyl)-2-[(2S)-oxolan-2-yl]phenyl]ethanol has a molecular weight of 362.47 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(6,7-dihydro-5H-cyclopenta[f]benzimidazol-1-ylmethyl)-2-[(2S)-oxolan-2-yl]phenyl]ethanol is sourced from PubChem (CID 73442636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).