N-[5-(1H-benzimidazol-2-yl)-1-bicyclo[3.1.1]heptanyl]-3,5-dimethoxybenzamide

C23H25N3O3 — CID 59175169

IUPACN-[5-(1H-benzimidazol-2-yl)-1-bicyclo[3.1.1]heptanyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NC23CCCC(c4nc5ccccc5[nH]4)(C2)C3)c1
InChIInChI=1S/C23H25N3O3/c1-28-16-10-15(11-17(12-16)29-2)20(27)26-23-9-5-8-22(13-23,14-23)21-24-18-6-3-4-7-19(18)25-21/h3-4,6-7,10-12H,5,8-9,13-14H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyPZLPTJDVPUPQLP-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.96
Rot. Bonds5

About N-[5-(1H-benzimidazol-2-yl)-1-bicyclo[3.1.1]heptanyl]-3,5-dimethoxybenzamide

N-[5-(1H-benzimidazol-2-yl)-1-bicyclo[3.1.1]heptanyl]-3,5-dimethoxybenzamide (PubChem CID 59175169) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-[5-(1H-benzimidazol-2-yl)-1-bicyclo[3.1.1]heptanyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[5-(1H-benzimidazol-2-yl)-1-bicyclo[3.1.1]heptanyl]-3,5-dimethoxybenzamide
PubChem CID59175169
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC NameN-[5-(1H-benzimidazol-2-yl)-1-bicyclo[3.1.1]heptanyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NC23CCCC(c4nc5ccccc5[nH]4)(C2)C3)c1
InChIInChI=1S/C23H25N3O3/c1-28-16-10-15(11-17(12-16)29-2)20(27)26-23-9-5-8-22(13-23,14-23)21-24-18-6-3-4-7-19(18)25-21/h3-4,6-7,10-12H,5,8-9,13-14H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyPZLPTJDVPUPQLP-UHFFFAOYSA-N
XLogP3.96
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(1H-benzimidazol-2-yl)-1-bicyclo[3.1.1]heptanyl]-3-(4-cyanophenyl)urea
CID 59175124
N-[(1S)-3-(1H-benzimidazol-2-yl)cyclohexyl]-3,5-dimethoxybenzamide
CID 143700080
N-[5-[6-(1,1-difluoroprop-2-enyl)-1H-benzimidazol-2-yl]-1-bicyclo[3.1.1]heptanyl]-4-(2,2,2-trifluoroacetyl)benzamide
CID 143699963
methyl 3-(1H-benzimidazol-2-yl)oxetane-3-carboxylate
CID 116985512
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-methoxybenzamide
CID 18116381
2-(1-methylcyclooctyl)-1H-benzimidazole
CID 173176716
1-(1H-benzimidazol-2-yl)cyclopropane-1-carboxamide
CID 91134350
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-methoxybenzamide
CID 22695827
N-[2-(1H-benzimidazol-2-yl)phenyl]-3-methoxybenzamide
CID 742047
N-[2-(1H-benzimidazol-2-ylamino)-2-oxoethyl]-3-methoxybenzamide
CID 53199724
N-[1H-benzimidazol-2-yl(phenyl)methyl]-3-methoxybenzamide
CID 43889810
N-[3-(1H-benzimidazol-2-yl)phenyl]-4-methoxybenzamide
CID 2810335

Frequently Asked Questions

What is the IUPAC name of N-[5-(1H-benzimidazol-2-yl)-1-bicyclo[3.1.1]heptanyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[5-(1H-benzimidazol-2-yl)-1-bicyclo[3.1.1]heptanyl]-3,5-dimethoxybenzamide (CID 59175169) is N-[5-(1H-benzimidazol-2-yl)-1-bicyclo[3.1.1]heptanyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[5-(1H-benzimidazol-2-yl)-1-bicyclo[3.1.1]heptanyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[5-(1H-benzimidazol-2-yl)-1-bicyclo[3.1.1]heptanyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)NC23CCCC(c4nc5ccccc5[nH]4)(C2)C3)c1.
What is the InChIKey of N-[5-(1H-benzimidazol-2-yl)-1-bicyclo[3.1.1]heptanyl]-3,5-dimethoxybenzamide?
The InChIKey is PZLPTJDVPUPQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-28-16-10-15(11-17(12-16)29-2)20(27)26-23-9-5-8-22(13-23,14-23)21-24-18-6-3-4-7-19(18)25-21/h3-4,6-7,10-12H,5,8-9,13-14H2,1-2H3,(H,24,25)(H,26,27).
What are the key properties of N-[5-(1H-benzimidazol-2-yl)-1-bicyclo[3.1.1]heptanyl]-3,5-dimethoxybenzamide?
N-[5-(1H-benzimidazol-2-yl)-1-bicyclo[3.1.1]heptanyl]-3,5-dimethoxybenzamide has a molecular weight of 391.47 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1H-benzimidazol-2-yl)-1-bicyclo[3.1.1]heptanyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 59175169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).