4-(3-fluorophenyl)-2-(4-prop-1-en-2-yl-1H-pyrazol-5-yl)-1H-benzimidazole;3-methylpyridine

C25H22FN5 — CID 154654255

IUPAC4-(3-fluorophenyl)-2-(4-prop-1-en-2-yl-1H-pyrazol-5-yl)-1H-benzimidazole;3-methylpyridine
SMILESC=C(C)c1cn[nH]c1-c1nc2c(-c3cccc(F)c3)cccc2[nH]1.Cc1cccnc1
InChIInChI=1S/C19H15FN4.C6H7N/c1-11(2)15-10-21-24-18(15)19-22-16-8-4-7-14(17(16)23-19)12-5-3-6-13(20)9-12;1-6-3-2-4-7-5-6/h3-10H,1H2,2H3,(H,21,24)(H,22,23);2-5H,1H3
InChIKeyMAMQHESXNJUEKR-UHFFFAOYSA-N
MW411.48 g/mol
LogP6.18
Rot. Bonds3

About 4-(3-fluorophenyl)-2-(4-prop-1-en-2-yl-1H-pyrazol-5-yl)-1H-benzimidazole;3-methylpyridine

4-(3-fluorophenyl)-2-(4-prop-1-en-2-yl-1H-pyrazol-5-yl)-1H-benzimidazole;3-methylpyridine (PubChem CID 154654255) has the molecular formula C25H22FN5 and a molecular weight of 411.48 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-2-(4-prop-1-en-2-yl-1H-pyrazol-5-yl)-1H-benzimidazole;3-methylpyridine.

Molecular Properties

Compound Name4-(3-fluorophenyl)-2-(4-prop-1-en-2-yl-1H-pyrazol-5-yl)-1H-benzimidazole;3-methylpyridine
PubChem CID154654255
Molecular FormulaC25H22FN5
Molecular Weight411.48 g/mol
Exact Mass411.19
IUPAC Name4-(3-fluorophenyl)-2-(4-prop-1-en-2-yl-1H-pyrazol-5-yl)-1H-benzimidazole;3-methylpyridine
SMILESC=C(C)c1cn[nH]c1-c1nc2c(-c3cccc(F)c3)cccc2[nH]1.Cc1cccnc1
InChIInChI=1S/C19H15FN4.C6H7N/c1-11(2)15-10-21-24-18(15)19-22-16-8-4-7-14(17(16)23-19)12-5-3-6-13(20)9-12;1-6-3-2-4-7-5-6/h3-10H,1H2,2H3,(H,21,24)(H,22,23);2-5H,1H3
InChIKeyMAMQHESXNJUEKR-UHFFFAOYSA-N
XLogP6.18
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.48
LogP ≤ 56.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[5-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]ethenyl]pyridin-3-amine
CID 154654638
ethane;1-N-[5-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-N',1-N'-dipropylethene-1,1-diamine
CID 154654478
4-(3-fluorophenyl)-2-[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-pyrazol-5-yl]-1H-benzimidazole
CID 154654111
4-(3-fluorophenyl)-2-methyl-1H-benzimidazole
CID 70914004
4-(3-fluorophenyl)-2-[(5E)-4-methylidene-5-[(E)-3-pyrazin-2-ylbut-2-enylidene]-1H-pyrazol-3-yl]-1H-benzimidazole
CID 145249634
3-fluoro-5-[2-(5-pyridin-3-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-benzimidazol-4-yl]phenol
CID 136943288
5-pyridin-3-yl-3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137109752
5-[3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
CID 137109284
5-(1H-pyrazol-4-yl)-3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridine
CID 137109372
3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-5-(1,2,3,6-tetrahydropyridin-4-yl)-2H-pyrazolo[3,4-b]pyridine
CID 145038274
1-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]ethanone
CID 105455963
N-(1-cyclohexylethenyl)-5-[(3E)-3-[(5E)-5-ethylidene-3-[4-(3-fluorophenyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-ylidene]prop-1-en-2-yl]pyridin-3-amine
CID 145033208

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-2-(4-prop-1-en-2-yl-1H-pyrazol-5-yl)-1H-benzimidazole;3-methylpyridine?
The IUPAC name of 4-(3-fluorophenyl)-2-(4-prop-1-en-2-yl-1H-pyrazol-5-yl)-1H-benzimidazole;3-methylpyridine (CID 154654255) is 4-(3-fluorophenyl)-2-(4-prop-1-en-2-yl-1H-pyrazol-5-yl)-1H-benzimidazole;3-methylpyridine.
What is the SMILES notation for 4-(3-fluorophenyl)-2-(4-prop-1-en-2-yl-1H-pyrazol-5-yl)-1H-benzimidazole;3-methylpyridine?
The canonical SMILES for 4-(3-fluorophenyl)-2-(4-prop-1-en-2-yl-1H-pyrazol-5-yl)-1H-benzimidazole;3-methylpyridine is C=C(C)c1cn[nH]c1-c1nc2c(-c3cccc(F)c3)cccc2[nH]1.Cc1cccnc1.
What is the InChIKey of 4-(3-fluorophenyl)-2-(4-prop-1-en-2-yl-1H-pyrazol-5-yl)-1H-benzimidazole;3-methylpyridine?
The InChIKey is MAMQHESXNJUEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4.C6H7N/c1-11(2)15-10-21-24-18(15)19-22-16-8-4-7-14(17(16)23-19)12-5-3-6-13(20)9-12;1-6-3-2-4-7-5-6/h3-10H,1H2,2H3,(H,21,24)(H,22,23);2-5H,1H3.
What are the key properties of 4-(3-fluorophenyl)-2-(4-prop-1-en-2-yl-1H-pyrazol-5-yl)-1H-benzimidazole;3-methylpyridine?
4-(3-fluorophenyl)-2-(4-prop-1-en-2-yl-1H-pyrazol-5-yl)-1H-benzimidazole;3-methylpyridine has a molecular weight of 411.48 g/mol, XLogP of 6.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-2-(4-prop-1-en-2-yl-1H-pyrazol-5-yl)-1H-benzimidazole;3-methylpyridine is sourced from PubChem (CID 154654255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).