methyl N-[2-[2-[7-[2-[[methyl(propyl)amino]methyl]-3H-benzo[e]benzimidazol-7-yl]-3H-benzo[e]benzimidazol-2-yl]azetidin-1-yl]-2-oxoethyl]carbamate

C34H35N7O3 — CID 129108157

About methyl N-[2-[2-[7-[2-[[methyl(propyl)amino]methyl]-3H-benzo[e]benzimidazol-7-yl]-3H-benzo[e]benzimidazol-2-yl]azetidin-1-yl]-2-oxoethyl]carbamate

methyl N-[2-[2-[7-[2-[[methyl(propyl)amino]methyl]-3H-benzo[e]benzimidazol-7-yl]-3H-benzo[e]benzimidazol-2-yl]azetidin-1-yl]-2-oxoethyl]carbamate (PubChem CID 129108157) has the molecular formula C34H35N7O3 and a molecular weight of 589.70 g/mol. Its IUPAC name is methyl N-[2-[2-[7-[2-[[methyl(propyl)amino]methyl]-3H-benzo[e]benzimidazol-7-yl]-3H-benzo[e]benzimidazol-2-yl]azetidin-1-yl]-2-oxoethyl]carbamate.

Molecular Properties

• Compound Name: methyl N-[2-[2-[7-[2-[[methyl(propyl)amino]methyl]-3H-benzo[e]benzimidazol-7-yl]-3H-benzo[e]benzimidazol-2-yl]azetidin-1-yl]-2-oxoethyl]carbamate
• PubChem CID: 129108157
• Molecular Formula: C34H35N7O3
• Molecular Weight: 589.70 g/mol
• Exact Mass: 589.28
• IUPAC Name: methyl N-[2-[2-[7-[2-[[methyl(propyl)amino]methyl]-3H-benzo[e]benzimidazol-7-yl]-3H-benzo[e]benzimidazol-2-yl]azetidin-1-yl]-2-oxoethyl]carbamate
• SMILES: CCCN(C)Cc1nc2c(ccc3cc(-c4ccc5c(ccc6[nH]c(C7CCN7C(=O)CNC(=O)OC)nc65)c4)ccc32)[nH]1
• InChI: InChI=1S/C34H35N7O3/c1-4-14-40(2)19-29-36-26-11-7-22-16-20(5-9-24(22)31(26)38-29)21-6-10-25-23(17-21)8-12-27-32(25)39-33(37-27)28-13-15-41(28)30(42)18-35-34(43)44-3/h5-12,16-17,28H,4,13-15,18-19H2,1-3H3,(H,35,43)(H,36,38)(H,37,39)
• InChIKey: QRUSNIXYSKXDOK-UHFFFAOYSA-N
• XLogP: 5.88
• TPSA: 119.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	589.70
LogP ≤ 5	5.88
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[2-[7-[2-[[methyl(propyl)amino]methyl]-3H-benzo[e]benzimidazol-7-yl]-3H-benzo[e]benzimidazol-2-yl]azetidin-1-yl]-2-oxoethyl]carbamate?

The IUPAC name of methyl N-[2-[2-[7-[2-[[methyl(propyl)amino]methyl]-3H-benzo[e]benzimidazol-7-yl]-3H-benzo[e]benzimidazol-2-yl]azetidin-1-yl]-2-oxoethyl]carbamate (CID 129108157) is methyl N-[2-[2-[7-[2-[[methyl(propyl)amino]methyl]-3H-benzo[e]benzimidazol-7-yl]-3H-benzo[e]benzimidazol-2-yl]azetidin-1-yl]-2-oxoethyl]carbamate.

What is the SMILES notation for methyl N-[2-[2-[7-[2-[[methyl(propyl)amino]methyl]-3H-benzo[e]benzimidazol-7-yl]-3H-benzo[e]benzimidazol-2-yl]azetidin-1-yl]-2-oxoethyl]carbamate?

The canonical SMILES for methyl N-[2-[2-[7-[2-[[methyl(propyl)amino]methyl]-3H-benzo[e]benzimidazol-7-yl]-3H-benzo[e]benzimidazol-2-yl]azetidin-1-yl]-2-oxoethyl]carbamate is CCCN(C)Cc1nc2c(ccc3cc(-c4ccc5c(ccc6[nH]c(C7CCN7C(=O)CNC(=O)OC)nc65)c4)ccc32)[nH]1.

What is the InChIKey of methyl N-[2-[2-[7-[2-[[methyl(propyl)amino]methyl]-3H-benzo[e]benzimidazol-7-yl]-3H-benzo[e]benzimidazol-2-yl]azetidin-1-yl]-2-oxoethyl]carbamate?

The InChIKey is QRUSNIXYSKXDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35N7O3/c1-4-14-40(2)19-29-36-26-11-7-22-16-20(5-9-24(22)31(26)38-29)21-6-10-25-23(17-21)8-12-27-32(25)39-33(37-27)28-13-15-41(28)30(42)18-35-34(43)44-3/h5-12,16-17,28H,4,13-15,18-19H2,1-3H3,(H,35,43)(H,36,38)(H,37,39).

What are the key properties of methyl N-[2-[2-[7-[2-[[methyl(propyl)amino]methyl]-3H-benzo[e]benzimidazol-7-yl]-3H-benzo[e]benzimidazol-2-yl]azetidin-1-yl]-2-oxoethyl]carbamate?

methyl N-[2-[2-[7-[2-[[methyl(propyl)amino]methyl]-3H-benzo[e]benzimidazol-7-yl]-3H-benzo[e]benzimidazol-2-yl]azetidin-1-yl]-2-oxoethyl]carbamate has a molecular weight of 589.70 g/mol, XLogP of 5.88, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl N-[2-[2-[7-[2-[[methyl(propyl)amino]methyl]-3H-benzo[e]benzimidazol-7-yl]-3H-benzo[e]benzimidazol-2-yl]azetidin-1-yl]-2-oxoethyl]carbamate is sourced from PubChem (CID 129108157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).