1-(1-amino-4-phenylmethoxycyclohexyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol

C25H29N3O2 — CID 121322100

IUPAC1-(1-amino-4-phenylmethoxycyclohexyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol
SMILESNC1(C(O)CC2c3ccccc3-c3cncn32)CCC(OCc2ccccc2)CC1
InChIInChI=1S/C25H29N3O2/c26-25(12-10-19(11-13-25)30-16-18-6-2-1-3-7-18)24(29)14-22-20-8-4-5-9-21(20)23-15-27-17-28(22)23/h1-9,15,17,19,22,24,29H,10-14,16,26H2
InChIKeyQBQLQSHILDOGEZ-UHFFFAOYSA-N
MW403.53 g/mol
LogP4.06
Rot. Bonds6

About 1-(1-amino-4-phenylmethoxycyclohexyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol

1-(1-amino-4-phenylmethoxycyclohexyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol (PubChem CID 121322100) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is 1-(1-amino-4-phenylmethoxycyclohexyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol.

Molecular Properties

Compound Name1-(1-amino-4-phenylmethoxycyclohexyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol
PubChem CID121322100
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC Name1-(1-amino-4-phenylmethoxycyclohexyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol
SMILESNC1(C(O)CC2c3ccccc3-c3cncn32)CCC(OCc2ccccc2)CC1
InChIInChI=1S/C25H29N3O2/c26-25(12-10-19(11-13-25)30-16-18-6-2-1-3-7-18)24(29)14-22-20-8-4-5-9-21(20)23-15-27-17-28(22)23/h1-9,15,17,19,22,24,29H,10-14,16,26H2
InChIKeyQBQLQSHILDOGEZ-UHFFFAOYSA-N
XLogP4.06
TPSA73.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-amino-4-phenylmethoxycyclohexyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol?
The IUPAC name of 1-(1-amino-4-phenylmethoxycyclohexyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol (CID 121322100) is 1-(1-amino-4-phenylmethoxycyclohexyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol.
What is the SMILES notation for 1-(1-amino-4-phenylmethoxycyclohexyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol?
The canonical SMILES for 1-(1-amino-4-phenylmethoxycyclohexyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol is NC1(C(O)CC2c3ccccc3-c3cncn32)CCC(OCc2ccccc2)CC1.
What is the InChIKey of 1-(1-amino-4-phenylmethoxycyclohexyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol?
The InChIKey is QBQLQSHILDOGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2/c26-25(12-10-19(11-13-25)30-16-18-6-2-1-3-7-18)24(29)14-22-20-8-4-5-9-21(20)23-15-27-17-28(22)23/h1-9,15,17,19,22,24,29H,10-14,16,26H2.
What are the key properties of 1-(1-amino-4-phenylmethoxycyclohexyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol?
1-(1-amino-4-phenylmethoxycyclohexyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol has a molecular weight of 403.53 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-4-phenylmethoxycyclohexyl)-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol is sourced from PubChem (CID 121322100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).