6-methoxy-2-[4-[(E)-2-(4-methyl-3-pyridinyl)ethenyl]-1H-pyrazol-5-yl]-1H-benzimidazole

C19H17N5O — CID 135620673

IUPAC6-methoxy-2-[4-[(E)-2-(4-methyl-3-pyridinyl)ethenyl]-1H-pyrazol-5-yl]-1H-benzimidazole
SMILESCOc1ccc2nc(-c3[nH]ncc3/C=C/c3cnccc3C)[nH]c2c1
InChIInChI=1S/C19H17N5O/c1-12-7-8-20-10-13(12)3-4-14-11-21-24-18(14)19-22-16-6-5-15(25-2)9-17(16)23-19/h3-11H,1-2H3,(H,21,24)(H,22,23)/b4-3+
InChIKeyWZMDQWFGHYPLKD-ONEGZZNKSA-N
MW331.38 g/mol
LogP3.84
Rot. Bonds4

About 6-methoxy-2-[4-[(E)-2-(4-methyl-3-pyridinyl)ethenyl]-1H-pyrazol-5-yl]-1H-benzimidazole

6-methoxy-2-[4-[(E)-2-(4-methyl-3-pyridinyl)ethenyl]-1H-pyrazol-5-yl]-1H-benzimidazole (PubChem CID 135620673) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is 6-methoxy-2-[4-[(E)-2-(4-methyl-3-pyridinyl)ethenyl]-1H-pyrazol-5-yl]-1H-benzimidazole.

Molecular Properties

Compound Name6-methoxy-2-[4-[(E)-2-(4-methyl-3-pyridinyl)ethenyl]-1H-pyrazol-5-yl]-1H-benzimidazole
PubChem CID135620673
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC Name6-methoxy-2-[4-[(E)-2-(4-methyl-3-pyridinyl)ethenyl]-1H-pyrazol-5-yl]-1H-benzimidazole
SMILESCOc1ccc2nc(-c3[nH]ncc3/C=C/c3cnccc3C)[nH]c2c1
InChIInChI=1S/C19H17N5O/c1-12-7-8-20-10-13(12)3-4-14-11-21-24-18(14)19-22-16-6-5-15(25-2)9-17(16)23-19/h3-11H,1-2H3,(H,21,24)(H,22,23)/b4-3+
InChIKeyWZMDQWFGHYPLKD-ONEGZZNKSA-N
XLogP3.84
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Raf265
CID 11656518
Pyrazolopyridazine 1
CID 6539361
N-(3,4-Dimethoxyphenyl)-2-(1h-Pyrazol-4-Yl)-1h-Pyrrolo[3,2-C]pyridin-6-Amine
CID 68291131
3-[5-(5-Ethoxy-6-Fluoro-1h-Benzimidazol-2-Yl)-1h-Pyrazol-4-Yl]-1,1-Diethylurea
CID 135566617
N-(3-tert-butylphenyl)-1-methyl-5-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-4-yl]oxybenzimidazol-2-amine
CID 16064750
N-((5-(3-(5-methoxy-1H-benzo[d]imidazol-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl)pyridin-3-yl)methyl)ethanamine
CID 135497841
6-methoxy-2-pyridin-2-yl-1H-benzimidazole
CID 186762
Pyrazolo[1,5-b]pyridazine deriv. 42
CID 6539384
3-Methoxy-4-{3-[4-(4-Methylpiperazin-1-Yl)-1h-Benzimidazol-2-Yl]-1h-Indazol-6-Yl}aniline
CID 135566450
N-(4-methoxyphenyl)-4-[3-(pyridin-3-yl)-1H-pyrazol-4-yl]pyrimidin-2-amine
CID 137551961
6-(5-methoxy-1-methyl-1H-indol-3-yl)-5H-pyrrolo[2,3-b]pyrazine
CID 9860448
7-(1H-indol-2-yl)-5-methyl-N-(3,4,5-trimethoxyphenyl)imidazo[5,1-f][1,2,4]triazin-2-amine
CID 135545443

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-[4-[(E)-2-(4-methyl-3-pyridinyl)ethenyl]-1H-pyrazol-5-yl]-1H-benzimidazole?
The IUPAC name of 6-methoxy-2-[4-[(E)-2-(4-methyl-3-pyridinyl)ethenyl]-1H-pyrazol-5-yl]-1H-benzimidazole (CID 135620673) is 6-methoxy-2-[4-[(E)-2-(4-methyl-3-pyridinyl)ethenyl]-1H-pyrazol-5-yl]-1H-benzimidazole.
What is the SMILES notation for 6-methoxy-2-[4-[(E)-2-(4-methyl-3-pyridinyl)ethenyl]-1H-pyrazol-5-yl]-1H-benzimidazole?
The canonical SMILES for 6-methoxy-2-[4-[(E)-2-(4-methyl-3-pyridinyl)ethenyl]-1H-pyrazol-5-yl]-1H-benzimidazole is COc1ccc2nc(-c3[nH]ncc3/C=C/c3cnccc3C)[nH]c2c1.
What is the InChIKey of 6-methoxy-2-[4-[(E)-2-(4-methyl-3-pyridinyl)ethenyl]-1H-pyrazol-5-yl]-1H-benzimidazole?
The InChIKey is WZMDQWFGHYPLKD-ONEGZZNKSA-N. The full InChI is InChI=1S/C19H17N5O/c1-12-7-8-20-10-13(12)3-4-14-11-21-24-18(14)19-22-16-6-5-15(25-2)9-17(16)23-19/h3-11H,1-2H3,(H,21,24)(H,22,23)/b4-3+.
What are the key properties of 6-methoxy-2-[4-[(E)-2-(4-methyl-3-pyridinyl)ethenyl]-1H-pyrazol-5-yl]-1H-benzimidazole?
6-methoxy-2-[4-[(E)-2-(4-methyl-3-pyridinyl)ethenyl]-1H-pyrazol-5-yl]-1H-benzimidazole has a molecular weight of 331.38 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-[4-[(E)-2-(4-methyl-3-pyridinyl)ethenyl]-1H-pyrazol-5-yl]-1H-benzimidazole is sourced from PubChem (CID 135620673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).