2-[4-hydroxy-5-(2-hydroxyphenyl)-2-methylpyrazol-3-yl]-3H-benzimidazole-5-carboxamide

C18H15N5O3 — CID 135857268

IUPAC2-[4-hydroxy-5-(2-hydroxyphenyl)-2-methylpyrazol-3-yl]-3H-benzimidazole-5-carboxamide
SMILESCn1nc(-c2ccccc2O)c(O)c1-c1nc2ccc(C(N)=O)cc2[nH]1
InChIInChI=1S/C18H15N5O3/c1-23-15(16(25)14(22-23)10-4-2-3-5-13(10)24)18-20-11-7-6-9(17(19)26)8-12(11)21-18/h2-8,24-25H,1H3,(H2,19,26)(H,20,21)
InChIKeyNCUIKDNBIOOJAO-UHFFFAOYSA-N
MW349.35 g/mol
LogP2.14
Rot. Bonds3

About 2-[4-hydroxy-5-(2-hydroxyphenyl)-2-methylpyrazol-3-yl]-3H-benzimidazole-5-carboxamide

2-[4-hydroxy-5-(2-hydroxyphenyl)-2-methylpyrazol-3-yl]-3H-benzimidazole-5-carboxamide (PubChem CID 135857268) has the molecular formula C18H15N5O3 and a molecular weight of 349.35 g/mol. Its IUPAC name is 2-[4-hydroxy-5-(2-hydroxyphenyl)-2-methylpyrazol-3-yl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-hydroxy-5-(2-hydroxyphenyl)-2-methylpyrazol-3-yl]-3H-benzimidazole-5-carboxamide
PubChem CID135857268
Molecular FormulaC18H15N5O3
Molecular Weight349.35 g/mol
Exact Mass349.12
IUPAC Name2-[4-hydroxy-5-(2-hydroxyphenyl)-2-methylpyrazol-3-yl]-3H-benzimidazole-5-carboxamide
SMILESCn1nc(-c2ccccc2O)c(O)c1-c1nc2ccc(C(N)=O)cc2[nH]1
InChIInChI=1S/C18H15N5O3/c1-23-15(16(25)14(22-23)10-4-2-3-5-13(10)24)18-20-11-7-6-9(17(19)26)8-12(11)21-18/h2-8,24-25H,1H3,(H2,19,26)(H,20,21)
InChIKeyNCUIKDNBIOOJAO-UHFFFAOYSA-N
XLogP2.14
TPSA130.05 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 52.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-hydroxy-5-(2-hydroxyphenyl)-2-methylpyrazol-3-yl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-[4-hydroxy-5-(2-hydroxyphenyl)-2-methylpyrazol-3-yl]-3H-benzimidazole-5-carboxamide (CID 135857268) is 2-[4-hydroxy-5-(2-hydroxyphenyl)-2-methylpyrazol-3-yl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[4-hydroxy-5-(2-hydroxyphenyl)-2-methylpyrazol-3-yl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-[4-hydroxy-5-(2-hydroxyphenyl)-2-methylpyrazol-3-yl]-3H-benzimidazole-5-carboxamide is Cn1nc(-c2ccccc2O)c(O)c1-c1nc2ccc(C(N)=O)cc2[nH]1.
What is the InChIKey of 2-[4-hydroxy-5-(2-hydroxyphenyl)-2-methylpyrazol-3-yl]-3H-benzimidazole-5-carboxamide?
The InChIKey is NCUIKDNBIOOJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O3/c1-23-15(16(25)14(22-23)10-4-2-3-5-13(10)24)18-20-11-7-6-9(17(19)26)8-12(11)21-18/h2-8,24-25H,1H3,(H2,19,26)(H,20,21).
What are the key properties of 2-[4-hydroxy-5-(2-hydroxyphenyl)-2-methylpyrazol-3-yl]-3H-benzimidazole-5-carboxamide?
2-[4-hydroxy-5-(2-hydroxyphenyl)-2-methylpyrazol-3-yl]-3H-benzimidazole-5-carboxamide has a molecular weight of 349.35 g/mol, XLogP of 2.14, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-hydroxy-5-(2-hydroxyphenyl)-2-methylpyrazol-3-yl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 135857268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).