5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[(5S)-5-(hydroxymethyl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-8-yl]-4-methylbenzamide

C26H24FN5O3 — CID 161018383

About 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[(5S)-5-(hydroxymethyl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-8-yl]-4-methylbenzamide

5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[(5S)-5-(hydroxymethyl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-8-yl]-4-methylbenzamide (PubChem CID 161018383) has the molecular formula C26H24FN5O3 and a molecular weight of 473.51 g/mol. Its IUPAC name is 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[(5S)-5-(hydroxymethyl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-8-yl]-4-methylbenzamide.

Molecular Properties

• Compound Name: 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[(5S)-5-(hydroxymethyl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-8-yl]-4-methylbenzamide
• PubChem CID: 161018383
• Molecular Formula: C26H24FN5O3
• Molecular Weight: 473.51 g/mol
• Exact Mass: 473.19
• IUPAC Name: 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[(5S)-5-(hydroxymethyl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-8-yl]-4-methylbenzamide
• SMILES: Cc1cc(F)c(C(=O)Nc2cccc3c2OC[C@H](CO)n2ccnc2-3)cc1-n1cnc(C2CC2)c1
• InChI: InChI=1S/C26H24FN5O3/c1-15-9-20(27)19(10-23(15)31-11-22(29-14-31)16-5-6-16)26(34)30-21-4-2-3-18-24(21)35-13-17(12-33)32-8-7-28-25(18)32/h2-4,7-11,14,16-17,33H,5-6,12-13H2,1H3,(H,30,34)/t17-/m0/s1
• InChIKey: VXDCXHGKTLJOAP-KRWDZBQOSA-N
• XLogP: 4.24
• TPSA: 94.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.51
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[(5S)-5-(hydroxymethyl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-8-yl]-4-methylbenzamide?

The IUPAC name of 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[(5S)-5-(hydroxymethyl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-8-yl]-4-methylbenzamide (CID 161018383) is 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[(5S)-5-(hydroxymethyl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-8-yl]-4-methylbenzamide.

What is the SMILES notation for 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[(5S)-5-(hydroxymethyl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-8-yl]-4-methylbenzamide?

The canonical SMILES for 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[(5S)-5-(hydroxymethyl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-8-yl]-4-methylbenzamide is Cc1cc(F)c(C(=O)Nc2cccc3c2OC[C@H](CO)n2ccnc2-3)cc1-n1cnc(C2CC2)c1.

What is the InChIKey of 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[(5S)-5-(hydroxymethyl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-8-yl]-4-methylbenzamide?

The InChIKey is VXDCXHGKTLJOAP-KRWDZBQOSA-N. The full InChI is InChI=1S/C26H24FN5O3/c1-15-9-20(27)19(10-23(15)31-11-22(29-14-31)16-5-6-16)26(34)30-21-4-2-3-18-24(21)35-13-17(12-33)32-8-7-28-25(18)32/h2-4,7-11,14,16-17,33H,5-6,12-13H2,1H3,(H,30,34)/t17-/m0/s1.

What are the key properties of 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[(5S)-5-(hydroxymethyl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-8-yl]-4-methylbenzamide?

5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[(5S)-5-(hydroxymethyl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-8-yl]-4-methylbenzamide has a molecular weight of 473.51 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[(5S)-5-(hydroxymethyl)-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-8-yl]-4-methylbenzamide is sourced from PubChem (CID 161018383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).