4-[5-[3-ethyl-5-(5-methylfuran-2-yl)pyrazol-1-yl]-1-(pyridin-3-ylmethyl)benzimidazol-2-yl]benzamide

C30H26N6O2 — CID 71459439

IUPAC4-[5-[3-ethyl-5-(5-methylfuran-2-yl)pyrazol-1-yl]-1-(pyridin-3-ylmethyl)benzimidazol-2-yl]benzamide
SMILESCCc1cc(-c2ccc(C)o2)n(-c2ccc3c(c2)nc(-c2ccc(C(N)=O)cc2)n3Cc2cccnc2)n1
InChIInChI=1S/C30H26N6O2/c1-3-23-15-27(28-13-6-19(2)38-28)36(34-23)24-11-12-26-25(16-24)33-30(22-9-7-21(8-10-22)29(31)37)35(26)18-20-5-4-14-32-17-20/h4-17H,3,18H2,1-2H3,(H2,31,37)
InChIKeyDUZVFVVKLIXAJY-UHFFFAOYSA-N
MW502.58 g/mol
LogP5.56
Rot. Bonds7

About 4-[5-[3-ethyl-5-(5-methylfuran-2-yl)pyrazol-1-yl]-1-(pyridin-3-ylmethyl)benzimidazol-2-yl]benzamide

4-[5-[3-ethyl-5-(5-methylfuran-2-yl)pyrazol-1-yl]-1-(pyridin-3-ylmethyl)benzimidazol-2-yl]benzamide (PubChem CID 71459439) has the molecular formula C30H26N6O2 and a molecular weight of 502.58 g/mol. Its IUPAC name is 4-[5-[3-ethyl-5-(5-methylfuran-2-yl)pyrazol-1-yl]-1-(pyridin-3-ylmethyl)benzimidazol-2-yl]benzamide.

Molecular Properties

Compound Name4-[5-[3-ethyl-5-(5-methylfuran-2-yl)pyrazol-1-yl]-1-(pyridin-3-ylmethyl)benzimidazol-2-yl]benzamide
PubChem CID71459439
Molecular FormulaC30H26N6O2
Molecular Weight502.58 g/mol
Exact Mass502.21
IUPAC Name4-[5-[3-ethyl-5-(5-methylfuran-2-yl)pyrazol-1-yl]-1-(pyridin-3-ylmethyl)benzimidazol-2-yl]benzamide
SMILESCCc1cc(-c2ccc(C)o2)n(-c2ccc3c(c2)nc(-c2ccc(C(N)=O)cc2)n3Cc2cccnc2)n1
InChIInChI=1S/C30H26N6O2/c1-3-23-15-27(28-13-6-19(2)38-28)36(34-23)24-11-12-26-25(16-24)33-30(22-9-7-21(8-10-22)29(31)37)35(26)18-20-5-4-14-32-17-20/h4-17H,3,18H2,1-2H3,(H2,31,37)
InChIKeyDUZVFVVKLIXAJY-UHFFFAOYSA-N
XLogP5.56
TPSA104.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.58
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[5-[3-ethyl-5-(5-methylfuran-2-yl)pyrazol-1-yl]-1-(pyridin-3-ylmethyl)benzimidazol-2-yl]benzamide with MolForge

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

Launch Full Analysis

Related Compounds

1-{(3s)-1-[4-(1-Benzofuran-2-Yl)pyrimidin-2-Yl]piperidin-3-Yl}-3-Ethyl-1,3-Dihydro-2h-Benzimidazol-2-One
CID 25198728
3-(2-fluorophenyl)-7-(furan-2-yl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)pyrazolo[1,5-d][1,2,4]triazine
CID 18406903
3-[(2S,4S)-2-ethyloxan-4-yl]-12-(1-methylimidazol-4-yl)-6-(1-methylpyrazol-4-yl)-8-oxa-3,5,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one
CID 60166171
3-{5-[3-Ethyl-5-(5-Methylfuran-2-Yl)-1h-Pyrazol-1-Yl]-1-[(6-Oxo-1,6-Dihydropyridin-3-Yl)methyl]-1h-Benzimidazol-2-Yl}-4-Hydroxybenzoic Acid
CID 135566712
4-[2-[7-amino-4-(furan-2-yl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl]ethyl]-N-(2-aminophenyl)benzamide
CID 166633598
5-Furan-2-yl-7-trifluoromethyl-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid [3,5-dimethyl-1-(2-methyl-benzyl)-1H-pyrazol-4-yl]-amide
CID 651382
2-(2-furanylmethyl)-3-[[2-(3-pyridinyl)-3H-benzimidazol-5-yl]amino]-3H-isoindol-1-one
CID 5307293
4-(8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-N-(3-imidazol-1-yl-propyl)-benzamide
CID 44403150
2-[4-[[4-[3-Methoxy-4-(4-methylimidazol-1-yl)phenyl]triazol-1-yl]methyl]phenyl]-1,3-benzoxazole
CID 53307788
1-(2-Benzofuranyl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine
CID 54580415
1-[4-[4-[7-Amino-2-(1-methylpyrrolo[2,3-c]pyridin-3-yl)furo[2,3-c]pyridin-4-yl]pyrazol-1-yl]piperidin-1-yl]ethanone
CID 66760160
N-(4-imidazol-1-ylphenyl)-5-methyl-4-(5-methylsulfonyl-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl)pyrimidin-2-amine
CID 76072369

Frequently Asked Questions

What is the IUPAC name of 4-[5-[3-ethyl-5-(5-methylfuran-2-yl)pyrazol-1-yl]-1-(pyridin-3-ylmethyl)benzimidazol-2-yl]benzamide?
The IUPAC name of 4-[5-[3-ethyl-5-(5-methylfuran-2-yl)pyrazol-1-yl]-1-(pyridin-3-ylmethyl)benzimidazol-2-yl]benzamide (CID 71459439) is 4-[5-[3-ethyl-5-(5-methylfuran-2-yl)pyrazol-1-yl]-1-(pyridin-3-ylmethyl)benzimidazol-2-yl]benzamide.
What is the SMILES notation for 4-[5-[3-ethyl-5-(5-methylfuran-2-yl)pyrazol-1-yl]-1-(pyridin-3-ylmethyl)benzimidazol-2-yl]benzamide?
The canonical SMILES for 4-[5-[3-ethyl-5-(5-methylfuran-2-yl)pyrazol-1-yl]-1-(pyridin-3-ylmethyl)benzimidazol-2-yl]benzamide is CCc1cc(-c2ccc(C)o2)n(-c2ccc3c(c2)nc(-c2ccc(C(N)=O)cc2)n3Cc2cccnc2)n1.
What is the InChIKey of 4-[5-[3-ethyl-5-(5-methylfuran-2-yl)pyrazol-1-yl]-1-(pyridin-3-ylmethyl)benzimidazol-2-yl]benzamide?
The InChIKey is DUZVFVVKLIXAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N6O2/c1-3-23-15-27(28-13-6-19(2)38-28)36(34-23)24-11-12-26-25(16-24)33-30(22-9-7-21(8-10-22)29(31)37)35(26)18-20-5-4-14-32-17-20/h4-17H,3,18H2,1-2H3,(H2,31,37).
What are the key properties of 4-[5-[3-ethyl-5-(5-methylfuran-2-yl)pyrazol-1-yl]-1-(pyridin-3-ylmethyl)benzimidazol-2-yl]benzamide?
4-[5-[3-ethyl-5-(5-methylfuran-2-yl)pyrazol-1-yl]-1-(pyridin-3-ylmethyl)benzimidazol-2-yl]benzamide has a molecular weight of 502.58 g/mol, XLogP of 5.56, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[3-ethyl-5-(5-methylfuran-2-yl)pyrazol-1-yl]-1-(pyridin-3-ylmethyl)benzimidazol-2-yl]benzamide is sourced from PubChem (CID 71459439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).