ethyl N-[6-(1-methyl-2-oxo-4-pyridinyl)-4-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]-1H-benzimidazol-2-yl]carbamate

C27H30N6O4 — CID 11249102

IUPACethyl N-[6-(1-methyl-2-oxo-4-pyridinyl)-4-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]-1H-benzimidazol-2-yl]carbamate
SMILESCCOC(=O)Nc1nc2c(-c3ccc(OC4CCN(C)CC4)cn3)cc(-c3ccn(C)c(=O)c3)cc2[nH]1
InChIInChI=1S/C27H30N6O4/c1-4-36-27(35)31-26-29-23-14-18(17-7-12-33(3)24(34)15-17)13-21(25(23)30-26)22-6-5-20(16-28-22)37-19-8-10-32(2)11-9-19/h5-7,12-16,19H,4,8-11H2,1-3H3,(H2,29,30,31,35)
InChIKeyHANCEFIYUZHJKQ-UHFFFAOYSA-N
MW502.58 g/mol
LogP4.03
Rot. Bonds6

About ethyl N-[6-(1-methyl-2-oxo-4-pyridinyl)-4-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]-1H-benzimidazol-2-yl]carbamate

ethyl N-[6-(1-methyl-2-oxo-4-pyridinyl)-4-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]-1H-benzimidazol-2-yl]carbamate (PubChem CID 11249102) has the molecular formula C27H30N6O4 and a molecular weight of 502.58 g/mol. Its IUPAC name is ethyl N-[6-(1-methyl-2-oxo-4-pyridinyl)-4-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]-1H-benzimidazol-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[6-(1-methyl-2-oxo-4-pyridinyl)-4-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]-1H-benzimidazol-2-yl]carbamate
PubChem CID11249102
Molecular FormulaC27H30N6O4
Molecular Weight502.58 g/mol
Exact Mass502.23
IUPAC Nameethyl N-[6-(1-methyl-2-oxo-4-pyridinyl)-4-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]-1H-benzimidazol-2-yl]carbamate
SMILESCCOC(=O)Nc1nc2c(-c3ccc(OC4CCN(C)CC4)cn3)cc(-c3ccn(C)c(=O)c3)cc2[nH]1
InChIInChI=1S/C27H30N6O4/c1-4-36-27(35)31-26-29-23-14-18(17-7-12-33(3)24(34)15-17)13-21(25(23)30-26)22-6-5-20(16-28-22)37-19-8-10-32(2)11-9-19/h5-7,12-16,19H,4,8-11H2,1-3H3,(H2,29,30,31,35)
InChIKeyHANCEFIYUZHJKQ-UHFFFAOYSA-N
XLogP4.03
TPSA114.37 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.58
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze ethyl N-[6-(1-methyl-2-oxo-4-pyridinyl)-4-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]-1H-benzimidazol-2-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl N-[6-(1-methyl-2-oxo-4-pyridinyl)-4-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]-1H-benzimidazol-2-yl]carbamate?
The IUPAC name of ethyl N-[6-(1-methyl-2-oxo-4-pyridinyl)-4-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]-1H-benzimidazol-2-yl]carbamate (CID 11249102) is ethyl N-[6-(1-methyl-2-oxo-4-pyridinyl)-4-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]-1H-benzimidazol-2-yl]carbamate.
What is the SMILES notation for ethyl N-[6-(1-methyl-2-oxo-4-pyridinyl)-4-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]-1H-benzimidazol-2-yl]carbamate?
The canonical SMILES for ethyl N-[6-(1-methyl-2-oxo-4-pyridinyl)-4-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]-1H-benzimidazol-2-yl]carbamate is CCOC(=O)Nc1nc2c(-c3ccc(OC4CCN(C)CC4)cn3)cc(-c3ccn(C)c(=O)c3)cc2[nH]1.
What is the InChIKey of ethyl N-[6-(1-methyl-2-oxo-4-pyridinyl)-4-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]-1H-benzimidazol-2-yl]carbamate?
The InChIKey is HANCEFIYUZHJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O4/c1-4-36-27(35)31-26-29-23-14-18(17-7-12-33(3)24(34)15-17)13-21(25(23)30-26)22-6-5-20(16-28-22)37-19-8-10-32(2)11-9-19/h5-7,12-16,19H,4,8-11H2,1-3H3,(H2,29,30,31,35).
What are the key properties of ethyl N-[6-(1-methyl-2-oxo-4-pyridinyl)-4-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]-1H-benzimidazol-2-yl]carbamate?
ethyl N-[6-(1-methyl-2-oxo-4-pyridinyl)-4-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]-1H-benzimidazol-2-yl]carbamate has a molecular weight of 502.58 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[6-(1-methyl-2-oxo-4-pyridinyl)-4-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]-1H-benzimidazol-2-yl]carbamate is sourced from PubChem (CID 11249102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).