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

C23H25N5O3 — CID 151971184

IUPACN-ethyl-4-[5-(1-ethylpyrazol-4-yl)benzimidazol-1-yl]-2,6-dimethoxybenzamide
SMILESCCNC(=O)c1c(OC)cc(-n2cnc3cc(-c4cnn(CC)c4)ccc32)cc1OC
InChIInChI=1S/C23H25N5O3/c1-5-24-23(29)22-20(30-3)10-17(11-21(22)31-4)28-14-25-18-9-15(7-8-19(18)28)16-12-26-27(6-2)13-16/h7-14H,5-6H2,1-4H3,(H,24,29)
InChIKeyUARVSLPFGRKWQN-UHFFFAOYSA-N
MW419.49 g/mol
LogP3.68
Rot. Bonds7

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

N-ethyl-4-[5-(1-ethylpyrazol-4-yl)benzimidazol-1-yl]-2,6-dimethoxybenzamide (PubChem CID 151971184) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is N-ethyl-4-[5-(1-ethylpyrazol-4-yl)benzimidazol-1-yl]-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-ethyl-4-[5-(1-ethylpyrazol-4-yl)benzimidazol-1-yl]-2,6-dimethoxybenzamide
PubChem CID151971184
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC NameN-ethyl-4-[5-(1-ethylpyrazol-4-yl)benzimidazol-1-yl]-2,6-dimethoxybenzamide
SMILESCCNC(=O)c1c(OC)cc(-n2cnc3cc(-c4cnn(CC)c4)ccc32)cc1OC
InChIInChI=1S/C23H25N5O3/c1-5-24-23(29)22-20(30-3)10-17(11-21(22)31-4)28-14-25-18-9-15(7-8-19(18)28)16-12-26-27(6-2)13-16/h7-14H,5-6H2,1-4H3,(H,24,29)
InChIKeyUARVSLPFGRKWQN-UHFFFAOYSA-N
XLogP3.68
TPSA83.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

US11866405, Example 22
CID 163396268
N-(3-methoxyphenyl)-3-[4-(3-methylimidazol-4-yl)triazol-1-yl]benzamide
CID 161475867
N-ethyl-4-[5-[1-(2-hydroxyethyl)pyrazol-4-yl]benzimidazol-1-yl]-2,6-dimethoxybenzamide
CID 150136550
N-cyclopropyl-2-(difluoromethoxy)-6-methoxy-4-[5-(1-methylpyrazol-4-yl)benzimidazol-1-yl]benzamide
CID 151447433
N-[3-[3-[2-(3-fluoroanilino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]-2,6-dimethoxybenzamide
CID 44529279
[2-methoxy-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone
CID 56676047
5-methoxy-1'-[2-(1-methylpyrazol-3-yl)-3H-benzimidazole-5-carbonyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 136164075
N-ethyl-4-[6-(3-methoxyphenoxy)-4-(3,3,3-trifluoropropylamino)benzimidazol-1-yl]-2-methylbenzamide
CID 66563184
US11866405, Example 3
CID 163396569
US11866405, Example 96
CID 167108688
US11866405, Example 37
CID 169092245
US11866405, Example 60
CID 169092247

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[5-(1-ethylpyrazol-4-yl)benzimidazol-1-yl]-2,6-dimethoxybenzamide?
The IUPAC name of N-ethyl-4-[5-(1-ethylpyrazol-4-yl)benzimidazol-1-yl]-2,6-dimethoxybenzamide (CID 151971184) is N-ethyl-4-[5-(1-ethylpyrazol-4-yl)benzimidazol-1-yl]-2,6-dimethoxybenzamide.
What is the SMILES notation for N-ethyl-4-[5-(1-ethylpyrazol-4-yl)benzimidazol-1-yl]-2,6-dimethoxybenzamide?
The canonical SMILES for N-ethyl-4-[5-(1-ethylpyrazol-4-yl)benzimidazol-1-yl]-2,6-dimethoxybenzamide is CCNC(=O)c1c(OC)cc(-n2cnc3cc(-c4cnn(CC)c4)ccc32)cc1OC.
What is the InChIKey of N-ethyl-4-[5-(1-ethylpyrazol-4-yl)benzimidazol-1-yl]-2,6-dimethoxybenzamide?
The InChIKey is UARVSLPFGRKWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-5-24-23(29)22-20(30-3)10-17(11-21(22)31-4)28-14-25-18-9-15(7-8-19(18)28)16-12-26-27(6-2)13-16/h7-14H,5-6H2,1-4H3,(H,24,29).
What are the key properties of N-ethyl-4-[5-(1-ethylpyrazol-4-yl)benzimidazol-1-yl]-2,6-dimethoxybenzamide?
N-ethyl-4-[5-(1-ethylpyrazol-4-yl)benzimidazol-1-yl]-2,6-dimethoxybenzamide has a molecular weight of 419.49 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[5-(1-ethylpyrazol-4-yl)benzimidazol-1-yl]-2,6-dimethoxybenzamide is sourced from PubChem (CID 151971184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).