1-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-[(2-methyl-1H-indol-5-yl)methyl]urea

C23H26N4O2 — CID 18564196

IUPAC1-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-[(2-methyl-1H-indol-5-yl)methyl]urea
SMILESCc1cc2cc(CNC(=O)NC3CC(=O)N(c4ccc(C)c(C)c4)C3)ccc2[nH]1
InChIInChI=1S/C23H26N4O2/c1-14-4-6-20(8-15(14)2)27-13-19(11-22(27)28)26-23(29)24-12-17-5-7-21-18(10-17)9-16(3)25-21/h4-10,19,25H,11-13H2,1-3H3,(H2,24,26,29)
InChIKeyCUJHTMMDJLUMJY-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.70
Rot. Bonds4

About 1-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-[(2-methyl-1H-indol-5-yl)methyl]urea

1-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-[(2-methyl-1H-indol-5-yl)methyl]urea (PubChem CID 18564196) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 1-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-[(2-methyl-1H-indol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-[(2-methyl-1H-indol-5-yl)methyl]urea
PubChem CID18564196
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name1-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-[(2-methyl-1H-indol-5-yl)methyl]urea
SMILESCc1cc2cc(CNC(=O)NC3CC(=O)N(c4ccc(C)c(C)c4)C3)ccc2[nH]1
InChIInChI=1S/C23H26N4O2/c1-14-4-6-20(8-15(14)2)27-13-19(11-22(27)28)26-23(29)24-12-17-5-7-21-18(10-17)9-16(3)25-21/h4-10,19,25H,11-13H2,1-3H3,(H2,24,26,29)
InChIKeyCUJHTMMDJLUMJY-UHFFFAOYSA-N
XLogP3.70
TPSA77.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-[(2-methyl-1H-indol-5-yl)methyl]urea?
The IUPAC name of 1-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-[(2-methyl-1H-indol-5-yl)methyl]urea (CID 18564196) is 1-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-[(2-methyl-1H-indol-5-yl)methyl]urea.
What is the SMILES notation for 1-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-[(2-methyl-1H-indol-5-yl)methyl]urea?
The canonical SMILES for 1-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-[(2-methyl-1H-indol-5-yl)methyl]urea is Cc1cc2cc(CNC(=O)NC3CC(=O)N(c4ccc(C)c(C)c4)C3)ccc2[nH]1.
What is the InChIKey of 1-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-[(2-methyl-1H-indol-5-yl)methyl]urea?
The InChIKey is CUJHTMMDJLUMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-14-4-6-20(8-15(14)2)27-13-19(11-22(27)28)26-23(29)24-12-17-5-7-21-18(10-17)9-16(3)25-21/h4-10,19,25H,11-13H2,1-3H3,(H2,24,26,29).
What are the key properties of 1-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-[(2-methyl-1H-indol-5-yl)methyl]urea?
1-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-[(2-methyl-1H-indol-5-yl)methyl]urea has a molecular weight of 390.49 g/mol, XLogP of 3.70, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-[(2-methyl-1H-indol-5-yl)methyl]urea is sourced from PubChem (CID 18564196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).