N-[(1S)-2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide

C24H28N6O2 — CID 91640901

About N-[(1S)-2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide

N-[(1S)-2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide (PubChem CID 91640901) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is N-[(1S)-2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide.

Molecular Properties

• Compound Name: N-[(1S)-2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
• PubChem CID: 91640901
• Molecular Formula: C24H28N6O2
• Molecular Weight: 432.53 g/mol
• Exact Mass: 432.23
• IUPAC Name: N-[(1S)-2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
• SMILES: CC(C)[C@H](NC(=O)CCn1nnc2ccccc2c1=O)c1nc2ccccc2n1C(C)C
• InChI: InChI=1S/C24H28N6O2/c1-15(2)22(23-25-19-11-7-8-12-20(19)30(23)16(3)4)26-21(31)13-14-29-24(32)17-9-5-6-10-18(17)27-28-29/h5-12,15-16,22H,13-14H2,1-4H3,(H,26,31)/t22-/m0/s1
• InChIKey: JZKUFBYSZOZQFQ-QFIPXVFZSA-N
• XLogP: 3.63
• TPSA: 94.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.53
LogP ≤ 5	3.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide?

The IUPAC name of N-[(1S)-2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide (CID 91640901) is N-[(1S)-2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide.

What is the SMILES notation for N-[(1S)-2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide?

The canonical SMILES for N-[(1S)-2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide is CC(C)[C@H](NC(=O)CCn1nnc2ccccc2c1=O)c1nc2ccccc2n1C(C)C.

What is the InChIKey of N-[(1S)-2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide?

The InChIKey is JZKUFBYSZOZQFQ-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H28N6O2/c1-15(2)22(23-25-19-11-7-8-12-20(19)30(23)16(3)4)26-21(31)13-14-29-24(32)17-9-5-6-10-18(17)27-28-29/h5-12,15-16,22H,13-14H2,1-4H3,(H,26,31)/t22-/m0/s1.

What are the key properties of N-[(1S)-2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide?

N-[(1S)-2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide has a molecular weight of 432.53 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-2-methyl-1-(1-propan-2-ylbenzimidazol-2-yl)propyl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide is sourced from PubChem (CID 91640901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).