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

C22H23N5O3 — CID 150469093

IUPACN-ethyl-2,6-dimethoxy-4-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]benzamide
SMILESCCNC(=O)c1c(OC)cc(-n2cnc3cc(-c4cnn(C)c4)ccc32)cc1OC
InChIInChI=1S/C22H23N5O3/c1-5-23-22(28)21-19(29-3)9-16(10-20(21)30-4)27-13-24-17-8-14(6-7-18(17)27)15-11-25-26(2)12-15/h6-13H,5H2,1-4H3,(H,23,28)
InChIKeyHRKJFKJZUNJKNU-UHFFFAOYSA-N
MW405.46 g/mol
LogP3.19
Rot. Bonds6

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

N-ethyl-2,6-dimethoxy-4-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]benzamide (PubChem CID 150469093) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is N-ethyl-2,6-dimethoxy-4-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]benzamide.

Molecular Properties

Compound NameN-ethyl-2,6-dimethoxy-4-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]benzamide
PubChem CID150469093
Molecular FormulaC22H23N5O3
Molecular Weight405.46 g/mol
Exact Mass405.18
IUPAC NameN-ethyl-2,6-dimethoxy-4-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]benzamide
SMILESCCNC(=O)c1c(OC)cc(-n2cnc3cc(-c4cnn(C)c4)ccc32)cc1OC
InChIInChI=1S/C22H23N5O3/c1-5-23-22(28)21-19(29-3)9-16(10-20(21)30-4)27-13-24-17-8-14(6-7-18(17)27)15-11-25-26(2)12-15/h6-13H,5H2,1-4H3,(H,23,28)
InChIKeyHRKJFKJZUNJKNU-UHFFFAOYSA-N
XLogP3.19
TPSA83.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,6-dimethoxy-4-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]benzamide?
The IUPAC name of N-ethyl-2,6-dimethoxy-4-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]benzamide (CID 150469093) is N-ethyl-2,6-dimethoxy-4-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]benzamide.
What is the SMILES notation for N-ethyl-2,6-dimethoxy-4-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]benzamide?
The canonical SMILES for N-ethyl-2,6-dimethoxy-4-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]benzamide is CCNC(=O)c1c(OC)cc(-n2cnc3cc(-c4cnn(C)c4)ccc32)cc1OC.
What is the InChIKey of N-ethyl-2,6-dimethoxy-4-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]benzamide?
The InChIKey is HRKJFKJZUNJKNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3/c1-5-23-22(28)21-19(29-3)9-16(10-20(21)30-4)27-13-24-17-8-14(6-7-18(17)27)15-11-25-26(2)12-15/h6-13H,5H2,1-4H3,(H,23,28).
What are the key properties of N-ethyl-2,6-dimethoxy-4-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]benzamide?
N-ethyl-2,6-dimethoxy-4-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]benzamide has a molecular weight of 405.46 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,6-dimethoxy-4-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]benzamide is sourced from PubChem (CID 150469093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).