6-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide

C22H22N6O2 — CID 165414999

IUPAC6-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide
SMILESCCn1nc(C)cc1C(=O)Nc1cc2nc(-c3ccccc3)[nH]c2cc1C(=O)NC
InChIInChI=1S/C22H22N6O2/c1-4-28-19(10-13(2)27-28)22(30)26-16-12-18-17(11-15(16)21(29)23-3)24-20(25-18)14-8-6-5-7-9-14/h5-12H,4H2,1-3H3,(H,23,29)(H,24,25)(H,26,30)
InChIKeyMRSQTSHGERLTOV-UHFFFAOYSA-N
MW402.46 g/mol
LogP3.37
Rot. Bonds5

About 6-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide

6-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide (PubChem CID 165414999) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is 6-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name6-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide
PubChem CID165414999
Molecular FormulaC22H22N6O2
Molecular Weight402.46 g/mol
Exact Mass402.18
IUPAC Name6-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide
SMILESCCn1nc(C)cc1C(=O)Nc1cc2nc(-c3ccccc3)[nH]c2cc1C(=O)NC
InChIInChI=1S/C22H22N6O2/c1-4-28-19(10-13(2)27-28)22(30)26-16-12-18-17(11-15(16)21(29)23-3)24-20(25-18)14-8-6-5-7-9-14/h5-12H,4H2,1-3H3,(H,23,29)(H,24,25)(H,26,30)
InChIKeyMRSQTSHGERLTOV-UHFFFAOYSA-N
XLogP3.37
TPSA104.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide?
The IUPAC name of 6-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide (CID 165414999) is 6-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 6-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 6-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide is CCn1nc(C)cc1C(=O)Nc1cc2nc(-c3ccccc3)[nH]c2cc1C(=O)NC.
What is the InChIKey of 6-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide?
The InChIKey is MRSQTSHGERLTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2/c1-4-28-19(10-13(2)27-28)22(30)26-16-12-18-17(11-15(16)21(29)23-3)24-20(25-18)14-8-6-5-7-9-14/h5-12H,4H2,1-3H3,(H,23,29)(H,24,25)(H,26,30).
What are the key properties of 6-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide?
6-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide has a molecular weight of 402.46 g/mol, XLogP of 3.37, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 165414999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).