4-[5-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]benzimidazol-1-yl]-N-ethyl-2,6-dimethoxybenzamide

C23H24N6O4 — CID 151913917

IUPAC4-[5-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]benzimidazol-1-yl]-N-ethyl-2,6-dimethoxybenzamide
SMILESCCNC(=O)c1c(OC)cc(-n2cnc3cc(-c4cnn(CC(N)=O)c4)ccc32)cc1OC
InChIInChI=1S/C23H24N6O4/c1-4-25-23(31)22-19(32-2)8-16(9-20(22)33-3)29-13-26-17-7-14(5-6-18(17)29)15-10-27-28(11-15)12-21(24)30/h5-11,13H,4,12H2,1-3H3,(H2,24,30)(H,25,31)
InChIKeySVJBHQPXESBDEQ-UHFFFAOYSA-N
MW448.48 g/mol
LogP2.14
Rot. Bonds8

About 4-[5-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]benzimidazol-1-yl]-N-ethyl-2,6-dimethoxybenzamide

4-[5-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]benzimidazol-1-yl]-N-ethyl-2,6-dimethoxybenzamide (PubChem CID 151913917) has the molecular formula C23H24N6O4 and a molecular weight of 448.48 g/mol. Its IUPAC name is 4-[5-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]benzimidazol-1-yl]-N-ethyl-2,6-dimethoxybenzamide.

Molecular Properties

Compound Name4-[5-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]benzimidazol-1-yl]-N-ethyl-2,6-dimethoxybenzamide
PubChem CID151913917
Molecular FormulaC23H24N6O4
Molecular Weight448.48 g/mol
Exact Mass448.19
IUPAC Name4-[5-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]benzimidazol-1-yl]-N-ethyl-2,6-dimethoxybenzamide
SMILESCCNC(=O)c1c(OC)cc(-n2cnc3cc(-c4cnn(CC(N)=O)c4)ccc32)cc1OC
InChIInChI=1S/C23H24N6O4/c1-4-25-23(31)22-19(32-2)8-16(9-20(22)33-3)29-13-26-17-7-14(5-6-18(17)29)15-10-27-28(11-15)12-21(24)30/h5-11,13H,4,12H2,1-3H3,(H2,24,30)(H,25,31)
InChIKeySVJBHQPXESBDEQ-UHFFFAOYSA-N
XLogP2.14
TPSA126.29 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]benzimidazol-1-yl]-N-ethyl-2,6-dimethoxybenzamide?
The IUPAC name of 4-[5-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]benzimidazol-1-yl]-N-ethyl-2,6-dimethoxybenzamide (CID 151913917) is 4-[5-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]benzimidazol-1-yl]-N-ethyl-2,6-dimethoxybenzamide.
What is the SMILES notation for 4-[5-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]benzimidazol-1-yl]-N-ethyl-2,6-dimethoxybenzamide?
The canonical SMILES for 4-[5-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]benzimidazol-1-yl]-N-ethyl-2,6-dimethoxybenzamide is CCNC(=O)c1c(OC)cc(-n2cnc3cc(-c4cnn(CC(N)=O)c4)ccc32)cc1OC.
What is the InChIKey of 4-[5-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]benzimidazol-1-yl]-N-ethyl-2,6-dimethoxybenzamide?
The InChIKey is SVJBHQPXESBDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O4/c1-4-25-23(31)22-19(32-2)8-16(9-20(22)33-3)29-13-26-17-7-14(5-6-18(17)29)15-10-27-28(11-15)12-21(24)30/h5-11,13H,4,12H2,1-3H3,(H2,24,30)(H,25,31).
What are the key properties of 4-[5-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]benzimidazol-1-yl]-N-ethyl-2,6-dimethoxybenzamide?
4-[5-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]benzimidazol-1-yl]-N-ethyl-2,6-dimethoxybenzamide has a molecular weight of 448.48 g/mol, XLogP of 2.14, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]benzimidazol-1-yl]-N-ethyl-2,6-dimethoxybenzamide is sourced from PubChem (CID 151913917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).