1-methyl-2-methylidene-3-[4-(1-methylpyrazol-3-yl)phenyl]benzimidazole

C19H18N4 — CID 167056281

IUPAC1-methyl-2-methylidene-3-[4-(1-methylpyrazol-3-yl)phenyl]benzimidazole
SMILESC=C1N(C)c2ccccc2N1c1ccc(-c2ccn(C)n2)cc1
InChIInChI=1S/C19H18N4/c1-14-22(3)18-6-4-5-7-19(18)23(14)16-10-8-15(9-11-16)17-12-13-21(2)20-17/h4-13H,1H2,2-3H3
InChIKeyBQDYDBIPPYAWLV-UHFFFAOYSA-N
MW302.38 g/mol
LogP4.15
Rot. Bonds2

About 1-methyl-2-methylidene-3-[4-(1-methylpyrazol-3-yl)phenyl]benzimidazole

1-methyl-2-methylidene-3-[4-(1-methylpyrazol-3-yl)phenyl]benzimidazole (PubChem CID 167056281) has the molecular formula C19H18N4 and a molecular weight of 302.38 g/mol. Its IUPAC name is 1-methyl-2-methylidene-3-[4-(1-methylpyrazol-3-yl)phenyl]benzimidazole.

Molecular Properties

Compound Name1-methyl-2-methylidene-3-[4-(1-methylpyrazol-3-yl)phenyl]benzimidazole
PubChem CID167056281
Molecular FormulaC19H18N4
Molecular Weight302.38 g/mol
Exact Mass302.15
IUPAC Name1-methyl-2-methylidene-3-[4-(1-methylpyrazol-3-yl)phenyl]benzimidazole
SMILESC=C1N(C)c2ccccc2N1c1ccc(-c2ccn(C)n2)cc1
InChIInChI=1S/C19H18N4/c1-14-22(3)18-6-4-5-7-19(18)23(14)16-10-8-15(9-11-16)17-12-13-21(2)20-17/h4-13H,1H2,2-3H3
InChIKeyBQDYDBIPPYAWLV-UHFFFAOYSA-N
XLogP4.15
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-methylidene-3-[4-(1-methylpyrazol-3-yl)phenyl]benzimidazole?
The IUPAC name of 1-methyl-2-methylidene-3-[4-(1-methylpyrazol-3-yl)phenyl]benzimidazole (CID 167056281) is 1-methyl-2-methylidene-3-[4-(1-methylpyrazol-3-yl)phenyl]benzimidazole.
What is the SMILES notation for 1-methyl-2-methylidene-3-[4-(1-methylpyrazol-3-yl)phenyl]benzimidazole?
The canonical SMILES for 1-methyl-2-methylidene-3-[4-(1-methylpyrazol-3-yl)phenyl]benzimidazole is C=C1N(C)c2ccccc2N1c1ccc(-c2ccn(C)n2)cc1.
What is the InChIKey of 1-methyl-2-methylidene-3-[4-(1-methylpyrazol-3-yl)phenyl]benzimidazole?
The InChIKey is BQDYDBIPPYAWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4/c1-14-22(3)18-6-4-5-7-19(18)23(14)16-10-8-15(9-11-16)17-12-13-21(2)20-17/h4-13H,1H2,2-3H3.
What are the key properties of 1-methyl-2-methylidene-3-[4-(1-methylpyrazol-3-yl)phenyl]benzimidazole?
1-methyl-2-methylidene-3-[4-(1-methylpyrazol-3-yl)phenyl]benzimidazole has a molecular weight of 302.38 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-methylidene-3-[4-(1-methylpyrazol-3-yl)phenyl]benzimidazole is sourced from PubChem (CID 167056281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).