methyl N-[(3R)-5-chloro-1-methyl-2-oxo-3-[(1R)-2-oxo-1-phenyl-2-(1-propan-2-ylimidazol-2-yl)ethyl]indol-3-yl]carbamate

C25H25ClN4O4 — CID 134958538

IUPACmethyl N-[(3R)-5-chloro-1-methyl-2-oxo-3-[(1R)-2-oxo-1-phenyl-2-(1-propan-2-ylimidazol-2-yl)ethyl]indol-3-yl]carbamate
SMILESCOC(=O)N[C@@]1([C@H](C(=O)c2nccn2C(C)C)c2ccccc2)C(=O)N(C)c2ccc(Cl)cc21
InChIInChI=1S/C25H25ClN4O4/c1-15(2)30-13-12-27-22(30)21(31)20(16-8-6-5-7-9-16)25(28-24(33)34-4)18-14-17(26)10-11-19(18)29(3)23(25)32/h5-15,20H,1-4H3,(H,28,33)/t20-,25-/m0/s1
InChIKeyFIGKJMBGNVDYGT-CPJSRVTESA-N
MW480.95 g/mol
LogP4.31
Rot. Bonds6

About methyl N-[(3R)-5-chloro-1-methyl-2-oxo-3-[(1R)-2-oxo-1-phenyl-2-(1-propan-2-ylimidazol-2-yl)ethyl]indol-3-yl]carbamate

methyl N-[(3R)-5-chloro-1-methyl-2-oxo-3-[(1R)-2-oxo-1-phenyl-2-(1-propan-2-ylimidazol-2-yl)ethyl]indol-3-yl]carbamate (PubChem CID 134958538) has the molecular formula C25H25ClN4O4 and a molecular weight of 480.95 g/mol. Its IUPAC name is methyl N-[(3R)-5-chloro-1-methyl-2-oxo-3-[(1R)-2-oxo-1-phenyl-2-(1-propan-2-ylimidazol-2-yl)ethyl]indol-3-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[(3R)-5-chloro-1-methyl-2-oxo-3-[(1R)-2-oxo-1-phenyl-2-(1-propan-2-ylimidazol-2-yl)ethyl]indol-3-yl]carbamate
PubChem CID134958538
Molecular FormulaC25H25ClN4O4
Molecular Weight480.95 g/mol
Exact Mass480.16
IUPAC Namemethyl N-[(3R)-5-chloro-1-methyl-2-oxo-3-[(1R)-2-oxo-1-phenyl-2-(1-propan-2-ylimidazol-2-yl)ethyl]indol-3-yl]carbamate
SMILESCOC(=O)N[C@@]1([C@H](C(=O)c2nccn2C(C)C)c2ccccc2)C(=O)N(C)c2ccc(Cl)cc21
InChIInChI=1S/C25H25ClN4O4/c1-15(2)30-13-12-27-22(30)21(31)20(16-8-6-5-7-9-16)25(28-24(33)34-4)18-14-17(26)10-11-19(18)29(3)23(25)32/h5-15,20H,1-4H3,(H,28,33)/t20-,25-/m0/s1
InChIKeyFIGKJMBGNVDYGT-CPJSRVTESA-N
XLogP4.31
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.95
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl N-[(3R)-5-chloro-1-methyl-2-oxo-3-[(1R)-2-oxo-1-phenyl-2-(1-propan-2-ylimidazol-2-yl)ethyl]indol-3-yl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl N-[(3R)-5-chloro-1-methyl-2-oxo-3-[(1R)-2-oxo-1-phenyl-2-(1-propan-2-ylimidazol-2-yl)ethyl]indol-3-yl]carbamate?
The IUPAC name of methyl N-[(3R)-5-chloro-1-methyl-2-oxo-3-[(1R)-2-oxo-1-phenyl-2-(1-propan-2-ylimidazol-2-yl)ethyl]indol-3-yl]carbamate (CID 134958538) is methyl N-[(3R)-5-chloro-1-methyl-2-oxo-3-[(1R)-2-oxo-1-phenyl-2-(1-propan-2-ylimidazol-2-yl)ethyl]indol-3-yl]carbamate.
What is the SMILES notation for methyl N-[(3R)-5-chloro-1-methyl-2-oxo-3-[(1R)-2-oxo-1-phenyl-2-(1-propan-2-ylimidazol-2-yl)ethyl]indol-3-yl]carbamate?
The canonical SMILES for methyl N-[(3R)-5-chloro-1-methyl-2-oxo-3-[(1R)-2-oxo-1-phenyl-2-(1-propan-2-ylimidazol-2-yl)ethyl]indol-3-yl]carbamate is COC(=O)N[C@@]1([C@H](C(=O)c2nccn2C(C)C)c2ccccc2)C(=O)N(C)c2ccc(Cl)cc21.
What is the InChIKey of methyl N-[(3R)-5-chloro-1-methyl-2-oxo-3-[(1R)-2-oxo-1-phenyl-2-(1-propan-2-ylimidazol-2-yl)ethyl]indol-3-yl]carbamate?
The InChIKey is FIGKJMBGNVDYGT-CPJSRVTESA-N. The full InChI is InChI=1S/C25H25ClN4O4/c1-15(2)30-13-12-27-22(30)21(31)20(16-8-6-5-7-9-16)25(28-24(33)34-4)18-14-17(26)10-11-19(18)29(3)23(25)32/h5-15,20H,1-4H3,(H,28,33)/t20-,25-/m0/s1.
What are the key properties of methyl N-[(3R)-5-chloro-1-methyl-2-oxo-3-[(1R)-2-oxo-1-phenyl-2-(1-propan-2-ylimidazol-2-yl)ethyl]indol-3-yl]carbamate?
methyl N-[(3R)-5-chloro-1-methyl-2-oxo-3-[(1R)-2-oxo-1-phenyl-2-(1-propan-2-ylimidazol-2-yl)ethyl]indol-3-yl]carbamate has a molecular weight of 480.95 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(3R)-5-chloro-1-methyl-2-oxo-3-[(1R)-2-oxo-1-phenyl-2-(1-propan-2-ylimidazol-2-yl)ethyl]indol-3-yl]carbamate is sourced from PubChem (CID 134958538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).