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

C21H21N5O2 — CID 135988636

IUPAC2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-N,N-dimethyl-3H-benzimidazole-5-carboxamide
SMILESCOc1c(-c2ccccc2)nn(C)c1-c1nc2ccc(C(=O)N(C)C)cc2[nH]1
InChIInChI=1S/C21H21N5O2/c1-25(2)21(27)14-10-11-15-16(12-14)23-20(22-15)18-19(28-4)17(24-26(18)3)13-8-6-5-7-9-13/h5-12H,1-4H3,(H,22,23)
InChIKeyRYFJLFMDNKDERZ-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.34
Rot. Bonds4

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

2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-N,N-dimethyl-3H-benzimidazole-5-carboxamide (PubChem CID 135988636) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-N,N-dimethyl-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-N,N-dimethyl-3H-benzimidazole-5-carboxamide
PubChem CID135988636
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-N,N-dimethyl-3H-benzimidazole-5-carboxamide
SMILESCOc1c(-c2ccccc2)nn(C)c1-c1nc2ccc(C(=O)N(C)C)cc2[nH]1
InChIInChI=1S/C21H21N5O2/c1-25(2)21(27)14-10-11-15-16(12-14)23-20(22-15)18-19(28-4)17(24-26(18)3)13-8-6-5-7-9-13/h5-12H,1-4H3,(H,22,23)
InChIKeyRYFJLFMDNKDERZ-UHFFFAOYSA-N
XLogP3.34
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.34
H-Bond Donors ≤ 51
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)-N,N-dimethyl-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-N,N-dimethyl-3H-benzimidazole-5-carboxamide (CID 135988636) is 2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-N,N-dimethyl-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-N,N-dimethyl-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-N,N-dimethyl-3H-benzimidazole-5-carboxamide is COc1c(-c2ccccc2)nn(C)c1-c1nc2ccc(C(=O)N(C)C)cc2[nH]1.
What is the InChIKey of 2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-N,N-dimethyl-3H-benzimidazole-5-carboxamide?
The InChIKey is RYFJLFMDNKDERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-25(2)21(27)14-10-11-15-16(12-14)23-20(22-15)18-19(28-4)17(24-26(18)3)13-8-6-5-7-9-13/h5-12H,1-4H3,(H,22,23).
What are the key properties of 2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-N,N-dimethyl-3H-benzimidazole-5-carboxamide?
2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-N,N-dimethyl-3H-benzimidazole-5-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 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)-N,N-dimethyl-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 135988636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).