6-[(1,5-dimethylpyrazole-3-carbonyl)amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide

C21H20N6O2 — CID 165415011

IUPAC6-[(1,5-dimethylpyrazole-3-carbonyl)amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide
SMILESCNC(=O)c1cc2[nH]c(-c3ccccc3)nc2cc1NC(=O)c1cc(C)n(C)n1
InChIInChI=1S/C21H20N6O2/c1-12-9-18(26-27(12)3)21(29)25-15-11-17-16(10-14(15)20(28)22-2)23-19(24-17)13-7-5-4-6-8-13/h4-11H,1-3H3,(H,22,28)(H,23,24)(H,25,29)
InChIKeyYAEUUMAZOSNJKA-UHFFFAOYSA-N
MW388.43 g/mol
LogP2.88
Rot. Bonds4

About 6-[(1,5-dimethylpyrazole-3-carbonyl)amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide

6-[(1,5-dimethylpyrazole-3-carbonyl)amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide (PubChem CID 165415011) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is 6-[(1,5-dimethylpyrazole-3-carbonyl)amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name6-[(1,5-dimethylpyrazole-3-carbonyl)amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide
PubChem CID165415011
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC Name6-[(1,5-dimethylpyrazole-3-carbonyl)amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide
SMILESCNC(=O)c1cc2[nH]c(-c3ccccc3)nc2cc1NC(=O)c1cc(C)n(C)n1
InChIInChI=1S/C21H20N6O2/c1-12-9-18(26-27(12)3)21(29)25-15-11-17-16(10-14(15)20(28)22-2)23-19(24-17)13-7-5-4-6-8-13/h4-11H,1-3H3,(H,22,28)(H,23,24)(H,25,29)
InChIKeyYAEUUMAZOSNJKA-UHFFFAOYSA-N
XLogP2.88
TPSA104.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(1,5-dimethylpyrazole-3-carbonyl)amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide?
The IUPAC name of 6-[(1,5-dimethylpyrazole-3-carbonyl)amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide (CID 165415011) is 6-[(1,5-dimethylpyrazole-3-carbonyl)amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 6-[(1,5-dimethylpyrazole-3-carbonyl)amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 6-[(1,5-dimethylpyrazole-3-carbonyl)amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide is CNC(=O)c1cc2[nH]c(-c3ccccc3)nc2cc1NC(=O)c1cc(C)n(C)n1.
What is the InChIKey of 6-[(1,5-dimethylpyrazole-3-carbonyl)amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide?
The InChIKey is YAEUUMAZOSNJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2/c1-12-9-18(26-27(12)3)21(29)25-15-11-17-16(10-14(15)20(28)22-2)23-19(24-17)13-7-5-4-6-8-13/h4-11H,1-3H3,(H,22,28)(H,23,24)(H,25,29).
What are the key properties of 6-[(1,5-dimethylpyrazole-3-carbonyl)amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide?
6-[(1,5-dimethylpyrazole-3-carbonyl)amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide has a molecular weight of 388.43 g/mol, XLogP of 2.88, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1,5-dimethylpyrazole-3-carbonyl)amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 165415011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).