5-(3-chlorophenyl)-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-1H-imidazole-2-carboxamide

C24H29ClN6O3 — CID 163283317

About 5-(3-chlorophenyl)-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-1H-imidazole-2-carboxamide

5-(3-chlorophenyl)-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-1H-imidazole-2-carboxamide (PubChem CID 163283317) has the molecular formula C24H29ClN6O3 and a molecular weight of 484.99 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-1H-imidazole-2-carboxamide.

Molecular Properties

• Compound Name: 5-(3-chlorophenyl)-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-1H-imidazole-2-carboxamide
• PubChem CID: 163283317
• Molecular Formula: C24H29ClN6O3
• Molecular Weight: 484.99 g/mol
• Exact Mass: 484.20
• IUPAC Name: 5-(3-chlorophenyl)-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-1H-imidazole-2-carboxamide
• SMILES: CC(C)(C)C[C@H](NC(=O)c1ncc(-c2cccc(Cl)c2)[nH]1)C(=O)N[C@H](C#N)C[C@@H]1CCNC1=O
• InChI: InChI=1S/C24H29ClN6O3/c1-24(2,3)11-18(22(33)29-17(12-26)10-15-7-8-27-21(15)32)31-23(34)20-28-13-19(30-20)14-5-4-6-16(25)9-14/h4-6,9,13,15,17-18H,7-8,10-11H2,1-3H3,(H,27,32)(H,28,30)(H,29,33)(H,31,34)/t15-,17-,18-/m0/s1
• InChIKey: GNEJHLUBZPCIPW-SZMVWBNQSA-N
• XLogP: 2.80
• TPSA: 139.77 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.99
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-1H-imidazole-2-carboxamide?

The IUPAC name of 5-(3-chlorophenyl)-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-1H-imidazole-2-carboxamide (CID 163283317) is 5-(3-chlorophenyl)-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-1H-imidazole-2-carboxamide.

What is the SMILES notation for 5-(3-chlorophenyl)-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-1H-imidazole-2-carboxamide?

The canonical SMILES for 5-(3-chlorophenyl)-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-1H-imidazole-2-carboxamide is CC(C)(C)C[C@H](NC(=O)c1ncc(-c2cccc(Cl)c2)[nH]1)C(=O)N[C@H](C#N)C[C@@H]1CCNC1=O.

What is the InChIKey of 5-(3-chlorophenyl)-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-1H-imidazole-2-carboxamide?

The InChIKey is GNEJHLUBZPCIPW-SZMVWBNQSA-N. The full InChI is InChI=1S/C24H29ClN6O3/c1-24(2,3)11-18(22(33)29-17(12-26)10-15-7-8-27-21(15)32)31-23(34)20-28-13-19(30-20)14-5-4-6-16(25)9-14/h4-6,9,13,15,17-18H,7-8,10-11H2,1-3H3,(H,27,32)(H,28,30)(H,29,33)(H,31,34)/t15-,17-,18-/m0/s1.

What are the key properties of 5-(3-chlorophenyl)-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-1H-imidazole-2-carboxamide?

5-(3-chlorophenyl)-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-1H-imidazole-2-carboxamide has a molecular weight of 484.99 g/mol, XLogP of 2.80, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-chlorophenyl)-N-[(2S)-1-[[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-1H-imidazole-2-carboxamide is sourced from PubChem (CID 163283317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).