methyl N-[6-[4-[methyl(oxetan-3-yl)amino]benzoyl]-1H-benzimidazol-2-yl]carbamate

C20H20N4O4 — CID 129188946

IUPACmethyl N-[6-[4-[methyl(oxetan-3-yl)amino]benzoyl]-1H-benzimidazol-2-yl]carbamate
SMILESCOC(=O)Nc1nc2ccc(C(=O)c3ccc(N(C)C4COC4)cc3)cc2[nH]1
InChIInChI=1S/C20H20N4O4/c1-24(15-10-28-11-15)14-6-3-12(4-7-14)18(25)13-5-8-16-17(9-13)22-19(21-16)23-20(26)27-2/h3-9,15H,10-11H2,1-2H3,(H2,21,22,23,26)
InChIKeyMAIZRPXCWJSCMS-UHFFFAOYSA-N
MW380.40 g/mol
LogP2.81
Rot. Bonds5

About methyl N-[6-[4-[methyl(oxetan-3-yl)amino]benzoyl]-1H-benzimidazol-2-yl]carbamate

methyl N-[6-[4-[methyl(oxetan-3-yl)amino]benzoyl]-1H-benzimidazol-2-yl]carbamate (PubChem CID 129188946) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is methyl N-[6-[4-[methyl(oxetan-3-yl)amino]benzoyl]-1H-benzimidazol-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[6-[4-[methyl(oxetan-3-yl)amino]benzoyl]-1H-benzimidazol-2-yl]carbamate
PubChem CID129188946
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC Namemethyl N-[6-[4-[methyl(oxetan-3-yl)amino]benzoyl]-1H-benzimidazol-2-yl]carbamate
SMILESCOC(=O)Nc1nc2ccc(C(=O)c3ccc(N(C)C4COC4)cc3)cc2[nH]1
InChIInChI=1S/C20H20N4O4/c1-24(15-10-28-11-15)14-6-3-12(4-7-14)18(25)13-5-8-16-17(9-13)22-19(21-16)23-20(26)27-2/h3-9,15H,10-11H2,1-2H3,(H2,21,22,23,26)
InChIKeyMAIZRPXCWJSCMS-UHFFFAOYSA-N
XLogP2.81
TPSA96.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl N-[6-[4-[methyl(oxetan-3-yl)amino]benzoyl]-1H-benzimidazol-2-yl]carbamate?
The IUPAC name of methyl N-[6-[4-[methyl(oxetan-3-yl)amino]benzoyl]-1H-benzimidazol-2-yl]carbamate (CID 129188946) is methyl N-[6-[4-[methyl(oxetan-3-yl)amino]benzoyl]-1H-benzimidazol-2-yl]carbamate.
What is the SMILES notation for methyl N-[6-[4-[methyl(oxetan-3-yl)amino]benzoyl]-1H-benzimidazol-2-yl]carbamate?
The canonical SMILES for methyl N-[6-[4-[methyl(oxetan-3-yl)amino]benzoyl]-1H-benzimidazol-2-yl]carbamate is COC(=O)Nc1nc2ccc(C(=O)c3ccc(N(C)C4COC4)cc3)cc2[nH]1.
What is the InChIKey of methyl N-[6-[4-[methyl(oxetan-3-yl)amino]benzoyl]-1H-benzimidazol-2-yl]carbamate?
The InChIKey is MAIZRPXCWJSCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-24(15-10-28-11-15)14-6-3-12(4-7-14)18(25)13-5-8-16-17(9-13)22-19(21-16)23-20(26)27-2/h3-9,15H,10-11H2,1-2H3,(H2,21,22,23,26).
What are the key properties of methyl N-[6-[4-[methyl(oxetan-3-yl)amino]benzoyl]-1H-benzimidazol-2-yl]carbamate?
methyl N-[6-[4-[methyl(oxetan-3-yl)amino]benzoyl]-1H-benzimidazol-2-yl]carbamate has a molecular weight of 380.40 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[6-[4-[methyl(oxetan-3-yl)amino]benzoyl]-1H-benzimidazol-2-yl]carbamate is sourced from PubChem (CID 129188946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).