benzyl N-[(1R)-2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]carbamate

C27H24N4O2 — CID 10296743

IUPACbenzyl N-[(1R)-2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]carbamate
SMILESO=C(N[C@H](Cc1c[nH]c2ccccc12)c1ncc(-c2ccccc2)[nH]1)OCc1ccccc1
InChIInChI=1S/C27H24N4O2/c32-27(33-18-19-9-3-1-4-10-19)31-24(15-21-16-28-23-14-8-7-13-22(21)23)26-29-17-25(30-26)20-11-5-2-6-12-20/h1-14,16-17,24,28H,15,18H2,(H,29,30)(H,31,32)/t24-/m1/s1
InChIKeyUDRCVZGXOKQHJG-XMMPIXPASA-N
MW436.52 g/mol
LogP5.77
Rot. Bonds7

About benzyl N-[(1R)-2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]carbamate

benzyl N-[(1R)-2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]carbamate (PubChem CID 10296743) has the molecular formula C27H24N4O2 and a molecular weight of 436.52 g/mol. Its IUPAC name is benzyl N-[(1R)-2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(1R)-2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]carbamate
PubChem CID10296743
Molecular FormulaC27H24N4O2
Molecular Weight436.52 g/mol
Exact Mass436.19
IUPAC Namebenzyl N-[(1R)-2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]carbamate
SMILESO=C(N[C@H](Cc1c[nH]c2ccccc12)c1ncc(-c2ccccc2)[nH]1)OCc1ccccc1
InChIInChI=1S/C27H24N4O2/c32-27(33-18-19-9-3-1-4-10-19)31-24(15-21-16-28-23-14-8-7-13-22(21)23)26-29-17-25(30-26)20-11-5-2-6-12-20/h1-14,16-17,24,28H,15,18H2,(H,29,30)(H,31,32)/t24-/m1/s1
InChIKeyUDRCVZGXOKQHJG-XMMPIXPASA-N
XLogP5.77
TPSA82.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.52
LogP ≤ 55.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze benzyl N-[(1R)-2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(1R)-2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]carbamate?
The IUPAC name of benzyl N-[(1R)-2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]carbamate (CID 10296743) is benzyl N-[(1R)-2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]carbamate.
What is the SMILES notation for benzyl N-[(1R)-2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]carbamate?
The canonical SMILES for benzyl N-[(1R)-2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]carbamate is O=C(N[C@H](Cc1c[nH]c2ccccc12)c1ncc(-c2ccccc2)[nH]1)OCc1ccccc1.
What is the InChIKey of benzyl N-[(1R)-2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]carbamate?
The InChIKey is UDRCVZGXOKQHJG-XMMPIXPASA-N. The full InChI is InChI=1S/C27H24N4O2/c32-27(33-18-19-9-3-1-4-10-19)31-24(15-21-16-28-23-14-8-7-13-22(21)23)26-29-17-25(30-26)20-11-5-2-6-12-20/h1-14,16-17,24,28H,15,18H2,(H,29,30)(H,31,32)/t24-/m1/s1.
What are the key properties of benzyl N-[(1R)-2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]carbamate?
benzyl N-[(1R)-2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]carbamate has a molecular weight of 436.52 g/mol, XLogP of 5.77, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(1R)-2-(1H-indol-3-yl)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]carbamate is sourced from PubChem (CID 10296743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).