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

C24H26N6O2 — CID 165415180

IUPAC6-[(1-tert-butyl-5-methylpyrazole-3-carbonyl)amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide
SMILESCNC(=O)c1cc2[nH]c(-c3ccccc3)nc2cc1NC(=O)c1cc(C)n(C(C)(C)C)n1
InChIInChI=1S/C24H26N6O2/c1-14-11-20(29-30(14)24(2,3)4)23(32)28-17-13-19-18(12-16(17)22(31)25-5)26-21(27-19)15-9-7-6-8-10-15/h6-13H,1-5H3,(H,25,31)(H,26,27)(H,28,32)
InChIKeyOFJXXPMXQBDPBZ-UHFFFAOYSA-N
MW430.51 g/mol
LogP4.10
Rot. Bonds4

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

6-[(1-tert-butyl-5-methylpyrazole-3-carbonyl)amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide (PubChem CID 165415180) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is 6-[(1-tert-butyl-5-methylpyrazole-3-carbonyl)amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name6-[(1-tert-butyl-5-methylpyrazole-3-carbonyl)amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide
PubChem CID165415180
Molecular FormulaC24H26N6O2
Molecular Weight430.51 g/mol
Exact Mass430.21
IUPAC Name6-[(1-tert-butyl-5-methylpyrazole-3-carbonyl)amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide
SMILESCNC(=O)c1cc2[nH]c(-c3ccccc3)nc2cc1NC(=O)c1cc(C)n(C(C)(C)C)n1
InChIInChI=1S/C24H26N6O2/c1-14-11-20(29-30(14)24(2,3)4)23(32)28-17-13-19-18(12-16(17)22(31)25-5)26-21(27-19)15-9-7-6-8-10-15/h6-13H,1-5H3,(H,25,31)(H,26,27)(H,28,32)
InChIKeyOFJXXPMXQBDPBZ-UHFFFAOYSA-N
XLogP4.10
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 ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(1-tert-butyl-5-methylpyrazole-3-carbonyl)amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide?
The IUPAC name of 6-[(1-tert-butyl-5-methylpyrazole-3-carbonyl)amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide (CID 165415180) is 6-[(1-tert-butyl-5-methylpyrazole-3-carbonyl)amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 6-[(1-tert-butyl-5-methylpyrazole-3-carbonyl)amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 6-[(1-tert-butyl-5-methylpyrazole-3-carbonyl)amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide is CNC(=O)c1cc2[nH]c(-c3ccccc3)nc2cc1NC(=O)c1cc(C)n(C(C)(C)C)n1.
What is the InChIKey of 6-[(1-tert-butyl-5-methylpyrazole-3-carbonyl)amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide?
The InChIKey is OFJXXPMXQBDPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2/c1-14-11-20(29-30(14)24(2,3)4)23(32)28-17-13-19-18(12-16(17)22(31)25-5)26-21(27-19)15-9-7-6-8-10-15/h6-13H,1-5H3,(H,25,31)(H,26,27)(H,28,32).
What are the key properties of 6-[(1-tert-butyl-5-methylpyrazole-3-carbonyl)amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide?
6-[(1-tert-butyl-5-methylpyrazole-3-carbonyl)amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide has a molecular weight of 430.51 g/mol, XLogP of 4.10, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-tert-butyl-5-methylpyrazole-3-carbonyl)amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 165415180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).