N-[2-[[2-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]-1H-benzimidazole-2-carboxamide;1-methoxy-4-methylbenzene;molecular hydrogen

C31H47N5O6 — CID 144719176

About N-[2-[[2-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]-1H-benzimidazole-2-carboxamide;1-methoxy-4-methylbenzene;molecular hydrogen

N-[2-[[2-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]-1H-benzimidazole-2-carboxamide;1-methoxy-4-methylbenzene;molecular hydrogen (PubChem CID 144719176) has the molecular formula C31H47N5O6 and a molecular weight of 585.75 g/mol. Its IUPAC name is N-[2-[[2-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]-1H-benzimidazole-2-carboxamide;1-methoxy-4-methylbenzene;molecular hydrogen.

Molecular Properties

• Compound Name: N-[2-[[2-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]-1H-benzimidazole-2-carboxamide;1-methoxy-4-methylbenzene;molecular hydrogen
• PubChem CID: 144719176
• Molecular Formula: C31H47N5O6
• Molecular Weight: 585.75 g/mol
• Exact Mass: 585.35
• IUPAC Name: N-[2-[[2-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]-1H-benzimidazole-2-carboxamide;1-methoxy-4-methylbenzene;molecular hydrogen
• SMILES: COc1ccc(C)cc1.C[C@]1(C(=O)[C@H](CC2CCCC2)NC(=O)CNC(=O)CNC(=O)c2nc3ccccc3[nH]2)CO1.[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C23H29N5O5.C8H10O.4H2/c1-23(13-33-23)20(31)17(10-14-6-2-3-7-14)26-19(30)12-24-18(29)11-25-22(32)21-27-15-8-4-5-9-16(15)28-21;1-7-3-5-8(9-2)6-4-7;;;;/h4-5,8-9,14,17H,2-3,6-7,10-13H2,1H3,(H,24,29)(H,25,32)(H,26,30)(H,27,28);3-6H,1-2H3;4*1H/t17-,23+;;;;;/m0...../s1
• InChIKey: UBHYMVNOLOTWOY-OERAPKFNSA-N
• XLogP: 3.82
• TPSA: 154.81 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	585.75
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]-1H-benzimidazole-2-carboxamide;1-methoxy-4-methylbenzene;molecular hydrogen?

The IUPAC name of N-[2-[[2-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]-1H-benzimidazole-2-carboxamide;1-methoxy-4-methylbenzene;molecular hydrogen (CID 144719176) is N-[2-[[2-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]-1H-benzimidazole-2-carboxamide;1-methoxy-4-methylbenzene;molecular hydrogen.

What is the SMILES notation for N-[2-[[2-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]-1H-benzimidazole-2-carboxamide;1-methoxy-4-methylbenzene;molecular hydrogen?

The canonical SMILES for N-[2-[[2-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]-1H-benzimidazole-2-carboxamide;1-methoxy-4-methylbenzene;molecular hydrogen is COc1ccc(C)cc1.C[C@]1(C(=O)[C@H](CC2CCCC2)NC(=O)CNC(=O)CNC(=O)c2nc3ccccc3[nH]2)CO1.[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of N-[2-[[2-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]-1H-benzimidazole-2-carboxamide;1-methoxy-4-methylbenzene;molecular hydrogen?

The InChIKey is UBHYMVNOLOTWOY-OERAPKFNSA-N. The full InChI is InChI=1S/C23H29N5O5.C8H10O.4H2/c1-23(13-33-23)20(31)17(10-14-6-2-3-7-14)26-19(30)12-24-18(29)11-25-22(32)21-27-15-8-4-5-9-16(15)28-21;1-7-3-5-8(9-2)6-4-7;;;;/h4-5,8-9,14,17H,2-3,6-7,10-13H2,1H3,(H,24,29)(H,25,32)(H,26,30)(H,27,28);3-6H,1-2H3;4*1H/t17-,23+;;;;;/m0...../s1.

What are the key properties of N-[2-[[2-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]-1H-benzimidazole-2-carboxamide;1-methoxy-4-methylbenzene;molecular hydrogen?

N-[2-[[2-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]-1H-benzimidazole-2-carboxamide;1-methoxy-4-methylbenzene;molecular hydrogen has a molecular weight of 585.75 g/mol, XLogP of 3.82, 11 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[2-[[(2S)-3-cyclopentyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]-1H-benzimidazole-2-carboxamide;1-methoxy-4-methylbenzene;molecular hydrogen is sourced from PubChem (CID 144719176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).