N-ethyl-2,6-dimethoxy-4-[5-[1-(oxan-4-yl)pyrazol-4-yl]benzimidazol-1-yl]benzamide

C26H29N5O4 — CID 151840140

IUPACN-ethyl-2,6-dimethoxy-4-[5-[1-(oxan-4-yl)pyrazol-4-yl]benzimidazol-1-yl]benzamide
SMILESCCNC(=O)c1c(OC)cc(-n2cnc3cc(-c4cnn(C5CCOCC5)c4)ccc32)cc1OC
InChIInChI=1S/C26H29N5O4/c1-4-27-26(32)25-23(33-2)12-20(13-24(25)34-3)30-16-28-21-11-17(5-6-22(21)30)18-14-29-31(15-18)19-7-9-35-10-8-19/h5-6,11-16,19H,4,7-10H2,1-3H3,(H,27,32)
InChIKeySGMHSWUFNYQVBA-UHFFFAOYSA-N
MW475.55 g/mol
LogP4.01
Rot. Bonds7

About N-ethyl-2,6-dimethoxy-4-[5-[1-(oxan-4-yl)pyrazol-4-yl]benzimidazol-1-yl]benzamide

N-ethyl-2,6-dimethoxy-4-[5-[1-(oxan-4-yl)pyrazol-4-yl]benzimidazol-1-yl]benzamide (PubChem CID 151840140) has the molecular formula C26H29N5O4 and a molecular weight of 475.55 g/mol. Its IUPAC name is N-ethyl-2,6-dimethoxy-4-[5-[1-(oxan-4-yl)pyrazol-4-yl]benzimidazol-1-yl]benzamide.

Molecular Properties

Compound NameN-ethyl-2,6-dimethoxy-4-[5-[1-(oxan-4-yl)pyrazol-4-yl]benzimidazol-1-yl]benzamide
PubChem CID151840140
Molecular FormulaC26H29N5O4
Molecular Weight475.55 g/mol
Exact Mass475.22
IUPAC NameN-ethyl-2,6-dimethoxy-4-[5-[1-(oxan-4-yl)pyrazol-4-yl]benzimidazol-1-yl]benzamide
SMILESCCNC(=O)c1c(OC)cc(-n2cnc3cc(-c4cnn(C5CCOCC5)c4)ccc32)cc1OC
InChIInChI=1S/C26H29N5O4/c1-4-27-26(32)25-23(33-2)12-20(13-24(25)34-3)30-16-28-21-11-17(5-6-22(21)30)18-14-29-31(15-18)19-7-9-35-10-8-19/h5-6,11-16,19H,4,7-10H2,1-3H3,(H,27,32)
InChIKeySGMHSWUFNYQVBA-UHFFFAOYSA-N
XLogP4.01
TPSA92.43 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,6-dimethoxy-4-[5-[1-(oxan-4-yl)pyrazol-4-yl]benzimidazol-1-yl]benzamide?
The IUPAC name of N-ethyl-2,6-dimethoxy-4-[5-[1-(oxan-4-yl)pyrazol-4-yl]benzimidazol-1-yl]benzamide (CID 151840140) is N-ethyl-2,6-dimethoxy-4-[5-[1-(oxan-4-yl)pyrazol-4-yl]benzimidazol-1-yl]benzamide.
What is the SMILES notation for N-ethyl-2,6-dimethoxy-4-[5-[1-(oxan-4-yl)pyrazol-4-yl]benzimidazol-1-yl]benzamide?
The canonical SMILES for N-ethyl-2,6-dimethoxy-4-[5-[1-(oxan-4-yl)pyrazol-4-yl]benzimidazol-1-yl]benzamide is CCNC(=O)c1c(OC)cc(-n2cnc3cc(-c4cnn(C5CCOCC5)c4)ccc32)cc1OC.
What is the InChIKey of N-ethyl-2,6-dimethoxy-4-[5-[1-(oxan-4-yl)pyrazol-4-yl]benzimidazol-1-yl]benzamide?
The InChIKey is SGMHSWUFNYQVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O4/c1-4-27-26(32)25-23(33-2)12-20(13-24(25)34-3)30-16-28-21-11-17(5-6-22(21)30)18-14-29-31(15-18)19-7-9-35-10-8-19/h5-6,11-16,19H,4,7-10H2,1-3H3,(H,27,32).
What are the key properties of N-ethyl-2,6-dimethoxy-4-[5-[1-(oxan-4-yl)pyrazol-4-yl]benzimidazol-1-yl]benzamide?
N-ethyl-2,6-dimethoxy-4-[5-[1-(oxan-4-yl)pyrazol-4-yl]benzimidazol-1-yl]benzamide has a molecular weight of 475.55 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,6-dimethoxy-4-[5-[1-(oxan-4-yl)pyrazol-4-yl]benzimidazol-1-yl]benzamide is sourced from PubChem (CID 151840140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).