methyl N-[2-[5-[4-[2-[[methyl(propyl)amino]methyl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]ethyl]carbamate

C29H32N6O2 — CID 134270304

About methyl N-[2-[5-[4-[2-[[methyl(propyl)amino]methyl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]ethyl]carbamate

methyl N-[2-[5-[4-[2-[[methyl(propyl)amino]methyl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]ethyl]carbamate (PubChem CID 134270304) has the molecular formula C29H32N6O2 and a molecular weight of 496.62 g/mol. Its IUPAC name is methyl N-[2-[5-[4-[2-[[methyl(propyl)amino]methyl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]ethyl]carbamate.

Molecular Properties

• Compound Name: methyl N-[2-[5-[4-[2-[[methyl(propyl)amino]methyl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]ethyl]carbamate
• PubChem CID: 134270304
• Molecular Formula: C29H32N6O2
• Molecular Weight: 496.62 g/mol
• Exact Mass: 496.26
• IUPAC Name: methyl N-[2-[5-[4-[2-[[methyl(propyl)amino]methyl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]ethyl]carbamate
• SMILES: CCCN(C)Cc1nc2c(ccc3cc(-c4ccc(-c5cnc(CCNC(=O)OC)[nH]5)cc4)ccc32)[nH]1
• InChI: InChI=1S/C29H32N6O2/c1-4-15-35(2)18-27-32-24-12-10-22-16-21(9-11-23(22)28(24)34-27)19-5-7-20(8-6-19)25-17-31-26(33-25)13-14-30-29(36)37-3/h5-12,16-17H,4,13-15,18H2,1-3H3,(H,30,36)(H,31,33)(H,32,34)
• InChIKey: PASGJIVXBIPCGD-UHFFFAOYSA-N
• XLogP: 5.51
• TPSA: 98.93 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	496.62
LogP ≤ 5	5.51
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[5-[4-[2-[[methyl(propyl)amino]methyl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]ethyl]carbamate?

The IUPAC name of methyl N-[2-[5-[4-[2-[[methyl(propyl)amino]methyl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]ethyl]carbamate (CID 134270304) is methyl N-[2-[5-[4-[2-[[methyl(propyl)amino]methyl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]ethyl]carbamate.

What is the SMILES notation for methyl N-[2-[5-[4-[2-[[methyl(propyl)amino]methyl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]ethyl]carbamate?

The canonical SMILES for methyl N-[2-[5-[4-[2-[[methyl(propyl)amino]methyl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]ethyl]carbamate is CCCN(C)Cc1nc2c(ccc3cc(-c4ccc(-c5cnc(CCNC(=O)OC)[nH]5)cc4)ccc32)[nH]1.

What is the InChIKey of methyl N-[2-[5-[4-[2-[[methyl(propyl)amino]methyl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]ethyl]carbamate?

The InChIKey is PASGJIVXBIPCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N6O2/c1-4-15-35(2)18-27-32-24-12-10-22-16-21(9-11-23(22)28(24)34-27)19-5-7-20(8-6-19)25-17-31-26(33-25)13-14-30-29(36)37-3/h5-12,16-17H,4,13-15,18H2,1-3H3,(H,30,36)(H,31,33)(H,32,34).

What are the key properties of methyl N-[2-[5-[4-[2-[[methyl(propyl)amino]methyl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]ethyl]carbamate?

methyl N-[2-[5-[4-[2-[[methyl(propyl)amino]methyl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]ethyl]carbamate has a molecular weight of 496.62 g/mol, XLogP of 5.51, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for methyl N-[2-[5-[4-[2-[[methyl(propyl)amino]methyl]-3H-benzo[e]benzimidazol-7-yl]phenyl]-1H-imidazol-2-yl]ethyl]carbamate is sourced from PubChem (CID 134270304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).