1-[2-[3-[5-(6-methyl-2-pyridinyl)-2-propan-2-yl-1H-imidazol-4-yl]phenyl]phenyl]-3-morpholin-4-ylurea

C29H32N6O2 — CID 69351009

About 1-[2-[3-[5-(6-methyl-2-pyridinyl)-2-propan-2-yl-1H-imidazol-4-yl]phenyl]phenyl]-3-morpholin-4-ylurea

1-[2-[3-[5-(6-methyl-2-pyridinyl)-2-propan-2-yl-1H-imidazol-4-yl]phenyl]phenyl]-3-morpholin-4-ylurea (PubChem CID 69351009) has the molecular formula C29H32N6O2 and a molecular weight of 496.62 g/mol. Its IUPAC name is 1-[2-[3-[5-(6-methyl-2-pyridinyl)-2-propan-2-yl-1H-imidazol-4-yl]phenyl]phenyl]-3-morpholin-4-ylurea.

Molecular Properties

• Compound Name: 1-[2-[3-[5-(6-methyl-2-pyridinyl)-2-propan-2-yl-1H-imidazol-4-yl]phenyl]phenyl]-3-morpholin-4-ylurea
• PubChem CID: 69351009
• Molecular Formula: C29H32N6O2
• Molecular Weight: 496.62 g/mol
• Exact Mass: 496.26
• IUPAC Name: 1-[2-[3-[5-(6-methyl-2-pyridinyl)-2-propan-2-yl-1H-imidazol-4-yl]phenyl]phenyl]-3-morpholin-4-ylurea
• SMILES: Cc1cccc(-c2[nH]c(C(C)C)nc2-c2cccc(-c3ccccc3NC(=O)NN3CCOCC3)c2)n1
• InChI: InChI=1S/C29H32N6O2/c1-19(2)28-32-26(27(33-28)25-13-6-8-20(3)30-25)22-10-7-9-21(18-22)23-11-4-5-12-24(23)31-29(36)34-35-14-16-37-17-15-35/h4-13,18-19H,14-17H2,1-3H3,(H,32,33)(H2,31,34,36)
• InChIKey: MLSOCINJZMGCMN-UHFFFAOYSA-N
• XLogP: 5.61
• TPSA: 95.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	496.62
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-[5-(6-methyl-2-pyridinyl)-2-propan-2-yl-1H-imidazol-4-yl]phenyl]phenyl]-3-morpholin-4-ylurea?

The IUPAC name of 1-[2-[3-[5-(6-methyl-2-pyridinyl)-2-propan-2-yl-1H-imidazol-4-yl]phenyl]phenyl]-3-morpholin-4-ylurea (CID 69351009) is 1-[2-[3-[5-(6-methyl-2-pyridinyl)-2-propan-2-yl-1H-imidazol-4-yl]phenyl]phenyl]-3-morpholin-4-ylurea.

What is the SMILES notation for 1-[2-[3-[5-(6-methyl-2-pyridinyl)-2-propan-2-yl-1H-imidazol-4-yl]phenyl]phenyl]-3-morpholin-4-ylurea?

The canonical SMILES for 1-[2-[3-[5-(6-methyl-2-pyridinyl)-2-propan-2-yl-1H-imidazol-4-yl]phenyl]phenyl]-3-morpholin-4-ylurea is Cc1cccc(-c2[nH]c(C(C)C)nc2-c2cccc(-c3ccccc3NC(=O)NN3CCOCC3)c2)n1.

What is the InChIKey of 1-[2-[3-[5-(6-methyl-2-pyridinyl)-2-propan-2-yl-1H-imidazol-4-yl]phenyl]phenyl]-3-morpholin-4-ylurea?

The InChIKey is MLSOCINJZMGCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N6O2/c1-19(2)28-32-26(27(33-28)25-13-6-8-20(3)30-25)22-10-7-9-21(18-22)23-11-4-5-12-24(23)31-29(36)34-35-14-16-37-17-15-35/h4-13,18-19H,14-17H2,1-3H3,(H,32,33)(H2,31,34,36).

What are the key properties of 1-[2-[3-[5-(6-methyl-2-pyridinyl)-2-propan-2-yl-1H-imidazol-4-yl]phenyl]phenyl]-3-morpholin-4-ylurea?

1-[2-[3-[5-(6-methyl-2-pyridinyl)-2-propan-2-yl-1H-imidazol-4-yl]phenyl]phenyl]-3-morpholin-4-ylurea has a molecular weight of 496.62 g/mol, XLogP of 5.61, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[3-[5-(6-methyl-2-pyridinyl)-2-propan-2-yl-1H-imidazol-4-yl]phenyl]phenyl]-3-morpholin-4-ylurea is sourced from PubChem (CID 69351009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).