1-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]cyclopentan-1-ol

C27H28N2O2 — CID 126726361

IUPAC1-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]cyclopentan-1-ol
SMILESCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C3(O)CCCC3)cc21
InChIInChI=1S/C27H28N2O2/c1-2-29-24-19-22(26(30)17-9-10-18-26)15-16-23(24)28-25(29)27(31,20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-8,11-16,19,30-31H,2,9-10,17-18H2,1H3
InChIKeyDFOVAJCLKBBSHZ-UHFFFAOYSA-N
MW412.53 g/mol
LogP5.10
Rot. Bonds5

About 1-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]cyclopentan-1-ol

1-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]cyclopentan-1-ol (PubChem CID 126726361) has the molecular formula C27H28N2O2 and a molecular weight of 412.53 g/mol. Its IUPAC name is 1-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]cyclopentan-1-ol
PubChem CID126726361
Molecular FormulaC27H28N2O2
Molecular Weight412.53 g/mol
Exact Mass412.22
IUPAC Name1-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]cyclopentan-1-ol
SMILESCCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C3(O)CCCC3)cc21
InChIInChI=1S/C27H28N2O2/c1-2-29-24-19-22(26(30)17-9-10-18-26)15-16-23(24)28-25(29)27(31,20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-8,11-16,19,30-31H,2,9-10,17-18H2,1H3
InChIKeyDFOVAJCLKBBSHZ-UHFFFAOYSA-N
XLogP5.10
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.53
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]cyclopentan-1-ol?
The IUPAC name of 1-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]cyclopentan-1-ol (CID 126726361) is 1-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]cyclopentan-1-ol.
What is the SMILES notation for 1-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]cyclopentan-1-ol?
The canonical SMILES for 1-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]cyclopentan-1-ol is CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C3(O)CCCC3)cc21.
What is the InChIKey of 1-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]cyclopentan-1-ol?
The InChIKey is DFOVAJCLKBBSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O2/c1-2-29-24-19-22(26(30)17-9-10-18-26)15-16-23(24)28-25(29)27(31,20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-8,11-16,19,30-31H,2,9-10,17-18H2,1H3.
What are the key properties of 1-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]cyclopentan-1-ol?
1-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]cyclopentan-1-ol has a molecular weight of 412.53 g/mol, XLogP of 5.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethyl-2-[hydroxy(diphenyl)methyl]benzimidazol-5-yl]cyclopentan-1-ol is sourced from PubChem (CID 126726361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).