1-[2-[2-[2-(4-chlorophenyl)cyclopropyl]-3H-benzimidazol-5-yl]phenyl]ethanol

C24H21ClN2O — CID 59007977

IUPAC1-[2-[2-[2-(4-chlorophenyl)cyclopropyl]-3H-benzimidazol-5-yl]phenyl]ethanol
SMILESCC(O)c1ccccc1-c1ccc2nc(C3CC3c3ccc(Cl)cc3)[nH]c2c1
InChIInChI=1S/C24H21ClN2O/c1-14(28)18-4-2-3-5-19(18)16-8-11-22-23(12-16)27-24(26-22)21-13-20(21)15-6-9-17(25)10-7-15/h2-12,14,20-21,28H,13H2,1H3,(H,26,27)
InChIKeyULWDIVIKDPHGIO-UHFFFAOYSA-N
MW388.90 g/mol
LogP6.21
Rot. Bonds4

About 1-[2-[2-[2-(4-chlorophenyl)cyclopropyl]-3H-benzimidazol-5-yl]phenyl]ethanol

1-[2-[2-[2-(4-chlorophenyl)cyclopropyl]-3H-benzimidazol-5-yl]phenyl]ethanol (PubChem CID 59007977) has the molecular formula C24H21ClN2O and a molecular weight of 388.90 g/mol. Its IUPAC name is 1-[2-[2-[2-(4-chlorophenyl)cyclopropyl]-3H-benzimidazol-5-yl]phenyl]ethanol.

Molecular Properties

Compound Name1-[2-[2-[2-(4-chlorophenyl)cyclopropyl]-3H-benzimidazol-5-yl]phenyl]ethanol
PubChem CID59007977
Molecular FormulaC24H21ClN2O
Molecular Weight388.90 g/mol
Exact Mass388.13
IUPAC Name1-[2-[2-[2-(4-chlorophenyl)cyclopropyl]-3H-benzimidazol-5-yl]phenyl]ethanol
SMILESCC(O)c1ccccc1-c1ccc2nc(C3CC3c3ccc(Cl)cc3)[nH]c2c1
InChIInChI=1S/C24H21ClN2O/c1-14(28)18-4-2-3-5-19(18)16-8-11-22-23(12-16)27-24(26-22)21-13-20(21)15-6-9-17(25)10-7-15/h2-12,14,20-21,28H,13H2,1H3,(H,26,27)
InChIKeyULWDIVIKDPHGIO-UHFFFAOYSA-N
XLogP6.21
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.90
LogP ≤ 56.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-(4-chlorophenyl)cyclopropyl]-3H-benzimidazol-5-yl]phenyl]ethanol?
The IUPAC name of 1-[2-[2-[2-(4-chlorophenyl)cyclopropyl]-3H-benzimidazol-5-yl]phenyl]ethanol (CID 59007977) is 1-[2-[2-[2-(4-chlorophenyl)cyclopropyl]-3H-benzimidazol-5-yl]phenyl]ethanol.
What is the SMILES notation for 1-[2-[2-[2-(4-chlorophenyl)cyclopropyl]-3H-benzimidazol-5-yl]phenyl]ethanol?
The canonical SMILES for 1-[2-[2-[2-(4-chlorophenyl)cyclopropyl]-3H-benzimidazol-5-yl]phenyl]ethanol is CC(O)c1ccccc1-c1ccc2nc(C3CC3c3ccc(Cl)cc3)[nH]c2c1.
What is the InChIKey of 1-[2-[2-[2-(4-chlorophenyl)cyclopropyl]-3H-benzimidazol-5-yl]phenyl]ethanol?
The InChIKey is ULWDIVIKDPHGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O/c1-14(28)18-4-2-3-5-19(18)16-8-11-22-23(12-16)27-24(26-22)21-13-20(21)15-6-9-17(25)10-7-15/h2-12,14,20-21,28H,13H2,1H3,(H,26,27).
What are the key properties of 1-[2-[2-[2-(4-chlorophenyl)cyclopropyl]-3H-benzimidazol-5-yl]phenyl]ethanol?
1-[2-[2-[2-(4-chlorophenyl)cyclopropyl]-3H-benzimidazol-5-yl]phenyl]ethanol has a molecular weight of 388.90 g/mol, XLogP of 6.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-(4-chlorophenyl)cyclopropyl]-3H-benzimidazol-5-yl]phenyl]ethanol is sourced from PubChem (CID 59007977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).