2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxamide

C19H17N5O2 — CID 135988676

IUPAC2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxamide
SMILESCOc1c(-c2ccccc2)nn(C)c1-c1nc2ccc(C(N)=O)cc2[nH]1
InChIInChI=1S/C19H17N5O2/c1-24-16(17(26-2)15(23-24)11-6-4-3-5-7-11)19-21-13-9-8-12(18(20)25)10-14(13)22-19/h3-10H,1-2H3,(H2,20,25)(H,21,22)
InChIKeyLEOFDTIYCJOGQY-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.74
Rot. Bonds4

About 2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxamide

2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxamide (PubChem CID 135988676) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxamide
PubChem CID135988676
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxamide
SMILESCOc1c(-c2ccccc2)nn(C)c1-c1nc2ccc(C(N)=O)cc2[nH]1
InChIInChI=1S/C19H17N5O2/c1-24-16(17(26-2)15(23-24)11-6-4-3-5-7-11)19-21-13-9-8-12(18(20)25)10-14(13)22-19/h3-10H,1-2H3,(H2,20,25)(H,21,22)
InChIKeyLEOFDTIYCJOGQY-UHFFFAOYSA-N
XLogP2.74
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxamide (CID 135988676) is 2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxamide is COc1c(-c2ccccc2)nn(C)c1-c1nc2ccc(C(N)=O)cc2[nH]1.
What is the InChIKey of 2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxamide?
The InChIKey is LEOFDTIYCJOGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-24-16(17(26-2)15(23-24)11-6-4-3-5-7-11)19-21-13-9-8-12(18(20)25)10-14(13)22-19/h3-10H,1-2H3,(H2,20,25)(H,21,22).
What are the key properties of 2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxamide?
2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxamide has a molecular weight of 347.38 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 135988676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).