(10S)-23-methoxy-7-methyl-14-(2-methyl-3H-benzimidazole-5-carbonyl)-10-propan-2-yl-2-oxa-5,6,8,11,14,18-hexazatricyclo[18.3.1.05,9]tetracosa-1(23),6,8,20(24),21-pentaene-12,19-dione

C31H38N8O5 — CID 162638605

About (10S)-23-methoxy-7-methyl-14-(2-methyl-3H-benzimidazole-5-carbonyl)-10-propan-2-yl-2-oxa-5,6,8,11,14,18-hexazatricyclo[18.3.1.05,9]tetracosa-1(23),6,8,20(24),21-pentaene-12,19-dione

(10S)-23-methoxy-7-methyl-14-(2-methyl-3H-benzimidazole-5-carbonyl)-10-propan-2-yl-2-oxa-5,6,8,11,14,18-hexazatricyclo[18.3.1.05,9]tetracosa-1(23),6,8,20(24),21-pentaene-12,19-dione (PubChem CID 162638605) has the molecular formula C31H38N8O5 and a molecular weight of 602.70 g/mol. Its IUPAC name is (10S)-23-methoxy-7-methyl-14-(2-methyl-3H-benzimidazole-5-carbonyl)-10-propan-2-yl-2-oxa-5,6,8,11,14,18-hexazatricyclo[18.3.1.05,9]tetracosa-1(23),6,8,20(24),21-pentaene-12,19-dione.

Molecular Properties

• Compound Name: (10S)-23-methoxy-7-methyl-14-(2-methyl-3H-benzimidazole-5-carbonyl)-10-propan-2-yl-2-oxa-5,6,8,11,14,18-hexazatricyclo[18.3.1.05,9]tetracosa-1(23),6,8,20(24),21-pentaene-12,19-dione
• PubChem CID: 162638605
• Molecular Formula: C31H38N8O5
• Molecular Weight: 602.70 g/mol
• Exact Mass: 602.30
• IUPAC Name: (10S)-23-methoxy-7-methyl-14-(2-methyl-3H-benzimidazole-5-carbonyl)-10-propan-2-yl-2-oxa-5,6,8,11,14,18-hexazatricyclo[18.3.1.05,9]tetracosa-1(23),6,8,20(24),21-pentaene-12,19-dione
• SMILES: COc1ccc2cc1OCCn1nc(C)nc1[C@H](C(C)C)NC(=O)CN(C(=O)c1ccc3nc(C)[nH]c3c1)CCCNC2=O
• InChI: InChI=1S/C31H38N8O5/c1-18(2)28-29-35-20(4)37-39(29)13-14-44-26-16-21(8-10-25(26)43-5)30(41)32-11-6-12-38(17-27(40)36-28)31(42)22-7-9-23-24(15-22)34-19(3)33-23/h7-10,15-16,18,28H,6,11-14,17H2,1-5H3,(H,32,41)(H,33,34)(H,36,40)/t28-/m0/s1
• InChIKey: IYFVJJXJZKQPTO-NDEPHWFRSA-N
• XLogP: 2.95
• TPSA: 156.36 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 3
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	602.70
LogP ≤ 5	2.95
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (10S)-23-methoxy-7-methyl-14-(2-methyl-3H-benzimidazole-5-carbonyl)-10-propan-2-yl-2-oxa-5,6,8,11,14,18-hexazatricyclo[18.3.1.05,9]tetracosa-1(23),6,8,20(24),21-pentaene-12,19-dione?

The IUPAC name of (10S)-23-methoxy-7-methyl-14-(2-methyl-3H-benzimidazole-5-carbonyl)-10-propan-2-yl-2-oxa-5,6,8,11,14,18-hexazatricyclo[18.3.1.05,9]tetracosa-1(23),6,8,20(24),21-pentaene-12,19-dione (CID 162638605) is (10S)-23-methoxy-7-methyl-14-(2-methyl-3H-benzimidazole-5-carbonyl)-10-propan-2-yl-2-oxa-5,6,8,11,14,18-hexazatricyclo[18.3.1.05,9]tetracosa-1(23),6,8,20(24),21-pentaene-12,19-dione.

What is the SMILES notation for (10S)-23-methoxy-7-methyl-14-(2-methyl-3H-benzimidazole-5-carbonyl)-10-propan-2-yl-2-oxa-5,6,8,11,14,18-hexazatricyclo[18.3.1.05,9]tetracosa-1(23),6,8,20(24),21-pentaene-12,19-dione?

The canonical SMILES for (10S)-23-methoxy-7-methyl-14-(2-methyl-3H-benzimidazole-5-carbonyl)-10-propan-2-yl-2-oxa-5,6,8,11,14,18-hexazatricyclo[18.3.1.05,9]tetracosa-1(23),6,8,20(24),21-pentaene-12,19-dione is COc1ccc2cc1OCCn1nc(C)nc1[C@H](C(C)C)NC(=O)CN(C(=O)c1ccc3nc(C)[nH]c3c1)CCCNC2=O.

What is the InChIKey of (10S)-23-methoxy-7-methyl-14-(2-methyl-3H-benzimidazole-5-carbonyl)-10-propan-2-yl-2-oxa-5,6,8,11,14,18-hexazatricyclo[18.3.1.05,9]tetracosa-1(23),6,8,20(24),21-pentaene-12,19-dione?

The InChIKey is IYFVJJXJZKQPTO-NDEPHWFRSA-N. The full InChI is InChI=1S/C31H38N8O5/c1-18(2)28-29-35-20(4)37-39(29)13-14-44-26-16-21(8-10-25(26)43-5)30(41)32-11-6-12-38(17-27(40)36-28)31(42)22-7-9-23-24(15-22)34-19(3)33-23/h7-10,15-16,18,28H,6,11-14,17H2,1-5H3,(H,32,41)(H,33,34)(H,36,40)/t28-/m0/s1.

What are the key properties of (10S)-23-methoxy-7-methyl-14-(2-methyl-3H-benzimidazole-5-carbonyl)-10-propan-2-yl-2-oxa-5,6,8,11,14,18-hexazatricyclo[18.3.1.05,9]tetracosa-1(23),6,8,20(24),21-pentaene-12,19-dione?

(10S)-23-methoxy-7-methyl-14-(2-methyl-3H-benzimidazole-5-carbonyl)-10-propan-2-yl-2-oxa-5,6,8,11,14,18-hexazatricyclo[18.3.1.05,9]tetracosa-1(23),6,8,20(24),21-pentaene-12,19-dione has a molecular weight of 602.70 g/mol, XLogP of 2.95, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (10S)-23-methoxy-7-methyl-14-(2-methyl-3H-benzimidazole-5-carbonyl)-10-propan-2-yl-2-oxa-5,6,8,11,14,18-hexazatricyclo[18.3.1.05,9]tetracosa-1(23),6,8,20(24),21-pentaene-12,19-dione is sourced from PubChem (CID 162638605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).