methyl 6-(1H-pyrazol-5-yl)-1H-benzimidazole-2-carboxylate

C12H10N4O2 — CID 167772958

IUPACmethyl 6-(1H-pyrazol-5-yl)-1H-benzimidazole-2-carboxylate
SMILESCOC(=O)c1nc2ccc(-c3ccn[nH]3)cc2[nH]1
InChIInChI=1S/C12H10N4O2/c1-18-12(17)11-14-9-3-2-7(6-10(9)15-11)8-4-5-13-16-8/h2-6H,1H3,(H,13,16)(H,14,15)
InChIKeySCRITMWNPUXXAQ-UHFFFAOYSA-N
MW242.24 g/mol
LogP1.74
Rot. Bonds2

About methyl 6-(1H-pyrazol-5-yl)-1H-benzimidazole-2-carboxylate

methyl 6-(1H-pyrazol-5-yl)-1H-benzimidazole-2-carboxylate (PubChem CID 167772958) has the molecular formula C12H10N4O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is methyl 6-(1H-pyrazol-5-yl)-1H-benzimidazole-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(1H-pyrazol-5-yl)-1H-benzimidazole-2-carboxylate
PubChem CID167772958
Molecular FormulaC12H10N4O2
Molecular Weight242.24 g/mol
Exact Mass242.08
IUPAC Namemethyl 6-(1H-pyrazol-5-yl)-1H-benzimidazole-2-carboxylate
SMILESCOC(=O)c1nc2ccc(-c3ccn[nH]3)cc2[nH]1
InChIInChI=1S/C12H10N4O2/c1-18-12(17)11-14-9-3-2-7(6-10(9)15-11)8-4-5-13-16-8/h2-6H,1H3,(H,13,16)(H,14,15)
InChIKeySCRITMWNPUXXAQ-UHFFFAOYSA-N
XLogP1.74
TPSA83.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 6-(bromomethyl)-1H-benzimidazole-2-carboxylate
CID 131563579
N-[6-(1H-pyrazol-5-yl)-1H-benzimidazol-2-yl]benzamide
CID 166431499
methyl 2-fluoro-4-(1H-pyrazol-5-yl)benzoate
CID 165486349
methyl 5-bromo-6-methyl-1H-benzimidazole-2-carboxylate
CID 131099091
methyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]-1H-benzimidazole-2-carboxylate
CID 147345487
methyl 6-(4-chlorophenyl)sulfonyloxy-1H-benzimidazole-2-carboxylate
CID 88845141
methyl 4-(2-methyl-3H-benzimidazol-5-yl)pyrimidine-2-carboxylate
CID 116901274
methyl 6-(3-bromophenyl)sulfonyloxy-1H-benzimidazole-2-carboxylate
CID 88845211
methyl 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate
CID 1229665
[(2S)-5-azaniumyl-1-[[6-(4-methoxyphenyl)-1H-benzimidazole-2-carbonyl]amino]pentan-2-yl]azanium dichloride
CID 157444428
methyl 2-(4-aminophenyl)-3H-benzimidazole-5-carboxylate
CID 4915421
methyl 2-(4-chlorophenyl)-3H-benzimidazole-5-carboxylate
CID 3008656

Frequently Asked Questions

What is the IUPAC name of methyl 6-(1H-pyrazol-5-yl)-1H-benzimidazole-2-carboxylate?
The IUPAC name of methyl 6-(1H-pyrazol-5-yl)-1H-benzimidazole-2-carboxylate (CID 167772958) is methyl 6-(1H-pyrazol-5-yl)-1H-benzimidazole-2-carboxylate.
What is the SMILES notation for methyl 6-(1H-pyrazol-5-yl)-1H-benzimidazole-2-carboxylate?
The canonical SMILES for methyl 6-(1H-pyrazol-5-yl)-1H-benzimidazole-2-carboxylate is COC(=O)c1nc2ccc(-c3ccn[nH]3)cc2[nH]1.
What is the InChIKey of methyl 6-(1H-pyrazol-5-yl)-1H-benzimidazole-2-carboxylate?
The InChIKey is SCRITMWNPUXXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2/c1-18-12(17)11-14-9-3-2-7(6-10(9)15-11)8-4-5-13-16-8/h2-6H,1H3,(H,13,16)(H,14,15).
What are the key properties of methyl 6-(1H-pyrazol-5-yl)-1H-benzimidazole-2-carboxylate?
methyl 6-(1H-pyrazol-5-yl)-1H-benzimidazole-2-carboxylate has a molecular weight of 242.24 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(1H-pyrazol-5-yl)-1H-benzimidazole-2-carboxylate is sourced from PubChem (CID 167772958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).