6-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide

C24H26N6O2 — CID 165415144

IUPAC6-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide
SMILESCNC(=O)c1cc2[nH]c(-c3ccccc3)nc2cc1NC(=O)c1cc(C(C)(C)C)nn1C
InChIInChI=1S/C24H26N6O2/c1-24(2,3)20-13-19(30(5)29-20)23(32)28-16-12-18-17(11-15(16)22(31)25-4)26-21(27-18)14-9-7-6-8-10-14/h6-13H,1-5H3,(H,25,31)(H,26,27)(H,28,32)
InChIKeyIGWYALDUHIMJFG-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.87
Rot. Bonds4

About 6-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide

6-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide (PubChem CID 165415144) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is 6-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name6-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide
PubChem CID165415144
Molecular FormulaC24H26N6O2
Molecular Weight430.51 g/mol
Exact Mass430.21
IUPAC Name6-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide
SMILESCNC(=O)c1cc2[nH]c(-c3ccccc3)nc2cc1NC(=O)c1cc(C(C)(C)C)nn1C
InChIInChI=1S/C24H26N6O2/c1-24(2,3)20-13-19(30(5)29-20)23(32)28-16-12-18-17(11-15(16)22(31)25-4)26-21(27-18)14-9-7-6-8-10-14/h6-13H,1-5H3,(H,25,31)(H,26,27)(H,28,32)
InChIKeyIGWYALDUHIMJFG-UHFFFAOYSA-N
XLogP3.87
TPSA104.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Pf-05175157
CID 52934180
N-[4-(1H-1,3-benzodiazol-1-yl)phenyl]-1-(3-carbamimidoylphenyl)-3-methyl-1H-pyrazole-5-carboxamide
CID 23644671
SGC-iMLLT
CID 134820948
2-(3-methylpyrrolidin-3-yl)-1H-1,3-benzodiazole-4-carboxamide
CID 11960631
2-[3-methyl-1-(2-phenylethyl)pyrrolidin-3-yl]-1H-1,3-benzodiazole-4-carboxamide
CID 11960733
5-ethyl-7,7-dimethyl-2-(5-methyl-1H-pyrazol-3-yl)-1H,5H,6H,7H-imidazo[4,5-f]indol-6-one
CID 135502940
7,7-dimethyl-2-(5-methyl-1H-pyrazol-3-yl)-1H,5H,6H,7H-imidazo[4,5-f]indol-6-one
CID 135525654
7-({[3-Tert-Butyl-1-(4-Methylphenyl)-1h-Pyrazol-5-Yl]carbamoyl}amino)-N-(Propan-2-Yl)-1h-Indole-2-Carboxamide
CID 70678492
2-(Methylamino)-1,7-Dihydro-8h-Imidazo[4,5-G]quinazolin-8-One
CID 135566565
6-Amino-2-[(2-Phenylethyl)amino]-1,7-Dihydro-8h-Imidazo[4,5-G]quinazolin-8-One
CID 135566931
N-[3-(1h-Tetrazol-5-Yl)phenyl]-1h-Benzimidazole-7-Carboxamide
CID 56851705
N~4~,N~4~,1-trimethyl-N~5~-(2-phenyl-1H-benzimidazol-5-yl)-1H-pyrazole-4,5-dicarboxamide
CID 165368447

Frequently Asked Questions

What is the IUPAC name of 6-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide?
The IUPAC name of 6-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide (CID 165415144) is 6-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 6-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 6-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide is CNC(=O)c1cc2[nH]c(-c3ccccc3)nc2cc1NC(=O)c1cc(C(C)(C)C)nn1C.
What is the InChIKey of 6-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide?
The InChIKey is IGWYALDUHIMJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2/c1-24(2,3)20-13-19(30(5)29-20)23(32)28-16-12-18-17(11-15(16)22(31)25-4)26-21(27-18)14-9-7-6-8-10-14/h6-13H,1-5H3,(H,25,31)(H,26,27)(H,28,32).
What are the key properties of 6-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide?
6-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide has a molecular weight of 430.51 g/mol, XLogP of 3.87, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 165415144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).