1-methyl-N-[2-[4-[[1-[(2-methyl-1,3-oxazol-5-yl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]indole-2-carboxamide

C29H33N7O2 — CID 19105058

About 1-methyl-N-[2-[4-[[1-[(2-methyl-1,3-oxazol-5-yl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]indole-2-carboxamide

1-methyl-N-[2-[4-[[1-[(2-methyl-1,3-oxazol-5-yl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]indole-2-carboxamide (PubChem CID 19105058) has the molecular formula C29H33N7O2 and a molecular weight of 511.63 g/mol. Its IUPAC name is 1-methyl-N-[2-[4-[[1-[(2-methyl-1,3-oxazol-5-yl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]indole-2-carboxamide.

Molecular Properties

• Compound Name: 1-methyl-N-[2-[4-[[1-[(2-methyl-1,3-oxazol-5-yl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]indole-2-carboxamide
• PubChem CID: 19105058
• Molecular Formula: C29H33N7O2
• Molecular Weight: 511.63 g/mol
• Exact Mass: 511.27
• IUPAC Name: 1-methyl-N-[2-[4-[[1-[(2-methyl-1,3-oxazol-5-yl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]indole-2-carboxamide
• SMILES: Cc1ncc(Cn2c(NC3CCN(CCNC(=O)c4cc5ccccc5n4C)CC3)nc3ccccc32)o1
• InChI: InChI=1S/C29H33N7O2/c1-20-31-18-23(38-20)19-36-26-10-6-4-8-24(26)33-29(36)32-22-11-14-35(15-12-22)16-13-30-28(37)27-17-21-7-3-5-9-25(21)34(27)2/h3-10,17-18,22H,11-16,19H2,1-2H3,(H,30,37)(H,32,33)
• InChIKey: SUXYDDBXFYQUJI-UHFFFAOYSA-N
• XLogP: 4.18
• TPSA: 93.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.63
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-[4-[[1-[(2-methyl-1,3-oxazol-5-yl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]indole-2-carboxamide?

The IUPAC name of 1-methyl-N-[2-[4-[[1-[(2-methyl-1,3-oxazol-5-yl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]indole-2-carboxamide (CID 19105058) is 1-methyl-N-[2-[4-[[1-[(2-methyl-1,3-oxazol-5-yl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]indole-2-carboxamide.

What is the SMILES notation for 1-methyl-N-[2-[4-[[1-[(2-methyl-1,3-oxazol-5-yl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]indole-2-carboxamide?

The canonical SMILES for 1-methyl-N-[2-[4-[[1-[(2-methyl-1,3-oxazol-5-yl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]indole-2-carboxamide is Cc1ncc(Cn2c(NC3CCN(CCNC(=O)c4cc5ccccc5n4C)CC3)nc3ccccc32)o1.

What is the InChIKey of 1-methyl-N-[2-[4-[[1-[(2-methyl-1,3-oxazol-5-yl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]indole-2-carboxamide?

The InChIKey is SUXYDDBXFYQUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N7O2/c1-20-31-18-23(38-20)19-36-26-10-6-4-8-24(26)33-29(36)32-22-11-14-35(15-12-22)16-13-30-28(37)27-17-21-7-3-5-9-25(21)34(27)2/h3-10,17-18,22H,11-16,19H2,1-2H3,(H,30,37)(H,32,33).

What are the key properties of 1-methyl-N-[2-[4-[[1-[(2-methyl-1,3-oxazol-5-yl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]indole-2-carboxamide?

1-methyl-N-[2-[4-[[1-[(2-methyl-1,3-oxazol-5-yl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]indole-2-carboxamide has a molecular weight of 511.63 g/mol, XLogP of 4.18, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-N-[2-[4-[[1-[(2-methyl-1,3-oxazol-5-yl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]indole-2-carboxamide is sourced from PubChem (CID 19105058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).