1-[4-[3-amino-1-(cyclopropylmethyl)-6-(1-methylimidazol-2-yl)oxyindol-2-yl]phenyl]-3-propan-2-ylurea

C26H30N6O2 — CID 70825538

About 1-[4-[3-amino-1-(cyclopropylmethyl)-6-(1-methylimidazol-2-yl)oxyindol-2-yl]phenyl]-3-propan-2-ylurea

1-[4-[3-amino-1-(cyclopropylmethyl)-6-(1-methylimidazol-2-yl)oxyindol-2-yl]phenyl]-3-propan-2-ylurea (PubChem CID 70825538) has the molecular formula C26H30N6O2 and a molecular weight of 458.57 g/mol. Its IUPAC name is 1-[4-[3-amino-1-(cyclopropylmethyl)-6-(1-methylimidazol-2-yl)oxyindol-2-yl]phenyl]-3-propan-2-ylurea.

Molecular Properties

• Compound Name: 1-[4-[3-amino-1-(cyclopropylmethyl)-6-(1-methylimidazol-2-yl)oxyindol-2-yl]phenyl]-3-propan-2-ylurea
• PubChem CID: 70825538
• Molecular Formula: C26H30N6O2
• Molecular Weight: 458.57 g/mol
• Exact Mass: 458.24
• IUPAC Name: 1-[4-[3-amino-1-(cyclopropylmethyl)-6-(1-methylimidazol-2-yl)oxyindol-2-yl]phenyl]-3-propan-2-ylurea
• SMILES: CC(C)NC(=O)Nc1ccc(-c2c(N)c3ccc(Oc4nccn4C)cc3n2CC2CC2)cc1
• InChI: InChI=1S/C26H30N6O2/c1-16(2)29-25(33)30-19-8-6-18(7-9-19)24-23(27)21-11-10-20(34-26-28-12-13-31(26)3)14-22(21)32(24)15-17-4-5-17/h6-14,16-17H,4-5,15,27H2,1-3H3,(H2,29,30,33)
• InChIKey: QBJKMBIRFNGSLS-UHFFFAOYSA-N
• XLogP: 5.36
• TPSA: 99.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	458.57
LogP ≤ 5	5.36
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-amino-1-(cyclopropylmethyl)-6-(1-methylimidazol-2-yl)oxyindol-2-yl]phenyl]-3-propan-2-ylurea?

The IUPAC name of 1-[4-[3-amino-1-(cyclopropylmethyl)-6-(1-methylimidazol-2-yl)oxyindol-2-yl]phenyl]-3-propan-2-ylurea (CID 70825538) is 1-[4-[3-amino-1-(cyclopropylmethyl)-6-(1-methylimidazol-2-yl)oxyindol-2-yl]phenyl]-3-propan-2-ylurea.

What is the SMILES notation for 1-[4-[3-amino-1-(cyclopropylmethyl)-6-(1-methylimidazol-2-yl)oxyindol-2-yl]phenyl]-3-propan-2-ylurea?

The canonical SMILES for 1-[4-[3-amino-1-(cyclopropylmethyl)-6-(1-methylimidazol-2-yl)oxyindol-2-yl]phenyl]-3-propan-2-ylurea is CC(C)NC(=O)Nc1ccc(-c2c(N)c3ccc(Oc4nccn4C)cc3n2CC2CC2)cc1.

What is the InChIKey of 1-[4-[3-amino-1-(cyclopropylmethyl)-6-(1-methylimidazol-2-yl)oxyindol-2-yl]phenyl]-3-propan-2-ylurea?

The InChIKey is QBJKMBIRFNGSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O2/c1-16(2)29-25(33)30-19-8-6-18(7-9-19)24-23(27)21-11-10-20(34-26-28-12-13-31(26)3)14-22(21)32(24)15-17-4-5-17/h6-14,16-17H,4-5,15,27H2,1-3H3,(H2,29,30,33).

What are the key properties of 1-[4-[3-amino-1-(cyclopropylmethyl)-6-(1-methylimidazol-2-yl)oxyindol-2-yl]phenyl]-3-propan-2-ylurea?

1-[4-[3-amino-1-(cyclopropylmethyl)-6-(1-methylimidazol-2-yl)oxyindol-2-yl]phenyl]-3-propan-2-ylurea has a molecular weight of 458.57 g/mol, XLogP of 5.36, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[3-amino-1-(cyclopropylmethyl)-6-(1-methylimidazol-2-yl)oxyindol-2-yl]phenyl]-3-propan-2-ylurea is sourced from PubChem (CID 70825538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).