5-(1H-benzimidazol-2-yl)-N-[(E)-1-(3,4,5-trimethoxyphenyl)but-1-enyl]-1H-pyrazol-3-amine

C23H25N5O3 — CID 155701129

IUPAC5-(1H-benzimidazol-2-yl)-N-[(E)-1-(3,4,5-trimethoxyphenyl)but-1-enyl]-1H-pyrazol-3-amine
SMILESCC/C=C(/Nc1cc(-c2nc3ccccc3[nH]2)[nH]n1)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C23H25N5O3/c1-5-8-15(14-11-19(29-2)22(31-4)20(12-14)30-3)24-21-13-18(27-28-21)23-25-16-9-6-7-10-17(16)26-23/h6-13H,5H2,1-4H3,(H,25,26)(H2,24,27,28)/b15-8+
InChIKeyPDSOLGXDRZUTBE-OVCLIPMQSA-N
MW419.49 g/mol
LogP4.84
Rot. Bonds8

About 5-(1H-benzimidazol-2-yl)-N-[(E)-1-(3,4,5-trimethoxyphenyl)but-1-enyl]-1H-pyrazol-3-amine

5-(1H-benzimidazol-2-yl)-N-[(E)-1-(3,4,5-trimethoxyphenyl)but-1-enyl]-1H-pyrazol-3-amine (PubChem CID 155701129) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is 5-(1H-benzimidazol-2-yl)-N-[(E)-1-(3,4,5-trimethoxyphenyl)but-1-enyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(1H-benzimidazol-2-yl)-N-[(E)-1-(3,4,5-trimethoxyphenyl)but-1-enyl]-1H-pyrazol-3-amine
PubChem CID155701129
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC Name5-(1H-benzimidazol-2-yl)-N-[(E)-1-(3,4,5-trimethoxyphenyl)but-1-enyl]-1H-pyrazol-3-amine
SMILESCC/C=C(/Nc1cc(-c2nc3ccccc3[nH]2)[nH]n1)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C23H25N5O3/c1-5-8-15(14-11-19(29-2)22(31-4)20(12-14)30-3)24-21-13-18(27-28-21)23-25-16-9-6-7-10-17(16)26-23/h6-13H,5H2,1-4H3,(H,25,26)(H2,24,27,28)/b15-8+
InChIKeyPDSOLGXDRZUTBE-OVCLIPMQSA-N
XLogP4.84
TPSA97.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 54.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]acetamide
CID 155161491
N-[3-(1H-benzimidazol-2-yl)phenyl]-3,4,5-trimethoxybenzamide
CID 1104078
methyl 2-[4-(1H-benzimidazol-2-yl)-2-bromo-6-methoxyphenoxy]acetate
CID 168555121
N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-3,4,5-trimethoxybenzamide
CID 2033052
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-4-(dimethylamino)benzamide
CID 155701119
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-chloro-4-(2-methoxyethylamino)benzamide
CID 163227858
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-3-chloro-4-methylbenzamide
CID 164954521
methyl 2-[4-(1H-benzimidazol-2-yl)-2-iodo-6-methoxyphenoxy]acetate
CID 168555138
2-[4-(1H-benzimidazol-2-yl)-2-bromo-6-methoxyphenoxy]acetamide
CID 168555021
2-(3-fluoro-4,5-dimethoxyphenyl)-1H-benzimidazole
CID 168555207
2-(3,5-dimethoxy-4-phenylmethoxyphenyl)-1H-benzimidazole
CID 110535118
N-[[5-(1H-benzimidazol-2-yl)-2-methylphenyl]carbamothioyl]-3,4,5-trimethoxybenzamide
CID 1492388

Frequently Asked Questions

What is the IUPAC name of 5-(1H-benzimidazol-2-yl)-N-[(E)-1-(3,4,5-trimethoxyphenyl)but-1-enyl]-1H-pyrazol-3-amine?
The IUPAC name of 5-(1H-benzimidazol-2-yl)-N-[(E)-1-(3,4,5-trimethoxyphenyl)but-1-enyl]-1H-pyrazol-3-amine (CID 155701129) is 5-(1H-benzimidazol-2-yl)-N-[(E)-1-(3,4,5-trimethoxyphenyl)but-1-enyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(1H-benzimidazol-2-yl)-N-[(E)-1-(3,4,5-trimethoxyphenyl)but-1-enyl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-(1H-benzimidazol-2-yl)-N-[(E)-1-(3,4,5-trimethoxyphenyl)but-1-enyl]-1H-pyrazol-3-amine is CC/C=C(/Nc1cc(-c2nc3ccccc3[nH]2)[nH]n1)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 5-(1H-benzimidazol-2-yl)-N-[(E)-1-(3,4,5-trimethoxyphenyl)but-1-enyl]-1H-pyrazol-3-amine?
The InChIKey is PDSOLGXDRZUTBE-OVCLIPMQSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-5-8-15(14-11-19(29-2)22(31-4)20(12-14)30-3)24-21-13-18(27-28-21)23-25-16-9-6-7-10-17(16)26-23/h6-13H,5H2,1-4H3,(H,25,26)(H2,24,27,28)/b15-8+.
What are the key properties of 5-(1H-benzimidazol-2-yl)-N-[(E)-1-(3,4,5-trimethoxyphenyl)but-1-enyl]-1H-pyrazol-3-amine?
5-(1H-benzimidazol-2-yl)-N-[(E)-1-(3,4,5-trimethoxyphenyl)but-1-enyl]-1H-pyrazol-3-amine has a molecular weight of 419.49 g/mol, XLogP of 4.84, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-benzimidazol-2-yl)-N-[(E)-1-(3,4,5-trimethoxyphenyl)but-1-enyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 155701129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).