N-[6-[[4-[5-[4-[(2,5-dimethylpyrazol-3-yl)carbamoyl]-1H-benzimidazol-2-yl]pyrazol-1-yl]phenyl]methyl]-4-methyl-2-pyridinyl]-2-(2-phenylpyrazol-3-yl)-1H-benzimidazole-4-carboxamide

C46H37N13O2 — CID 136626630

IUPACN-[6-[[4-[5-[4-[(2,5-dimethylpyrazol-3-yl)carbamoyl]-1H-benzimidazol-2-yl]pyrazol-1-yl]phenyl]methyl]-4-methyl-2-pyridinyl]-2-(2-phenylpyrazol-3-yl)-1H-benzimidazole-4-carboxamide
SMILESCc1cc(Cc2ccc(-n3nccc3-c3nc4c(C(=O)Nc5cc(C)nn5C)cccc4[nH]3)cc2)nc(NC(=O)c2cccc3[nH]c(-c4ccnn4-c4ccccc4)nc23)c1
InChIInChI=1S/C46H37N13O2/c1-27-23-30(49-39(24-27)52-45(60)33-11-7-13-35-41(33)54-43(50-35)37-19-21-47-58(37)31-9-5-4-6-10-31)26-29-15-17-32(18-16-29)59-38(20-22-48-59)44-51-36-14-8-12-34(42(36)55-44)46(61)53-40-25-28(2)56-57(40)3/h4-25H,26H2,1-3H3,(H,50,54)(H,51,55)(H,53,61)(H,49,52,60)
InChIKeyXBBKJNKUNPYLRJ-UHFFFAOYSA-N
MW803.89 g/mol
LogP7.99
Rot. Bonds10

About N-[6-[[4-[5-[4-[(2,5-dimethylpyrazol-3-yl)carbamoyl]-1H-benzimidazol-2-yl]pyrazol-1-yl]phenyl]methyl]-4-methyl-2-pyridinyl]-2-(2-phenylpyrazol-3-yl)-1H-benzimidazole-4-carboxamide

N-[6-[[4-[5-[4-[(2,5-dimethylpyrazol-3-yl)carbamoyl]-1H-benzimidazol-2-yl]pyrazol-1-yl]phenyl]methyl]-4-methyl-2-pyridinyl]-2-(2-phenylpyrazol-3-yl)-1H-benzimidazole-4-carboxamide (PubChem CID 136626630) has the molecular formula C46H37N13O2 and a molecular weight of 803.89 g/mol. Its IUPAC name is N-[6-[[4-[5-[4-[(2,5-dimethylpyrazol-3-yl)carbamoyl]-1H-benzimidazol-2-yl]pyrazol-1-yl]phenyl]methyl]-4-methyl-2-pyridinyl]-2-(2-phenylpyrazol-3-yl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-[[4-[5-[4-[(2,5-dimethylpyrazol-3-yl)carbamoyl]-1H-benzimidazol-2-yl]pyrazol-1-yl]phenyl]methyl]-4-methyl-2-pyridinyl]-2-(2-phenylpyrazol-3-yl)-1H-benzimidazole-4-carboxamide
PubChem CID136626630
Molecular FormulaC46H37N13O2
Molecular Weight803.89 g/mol
Exact Mass803.32
IUPAC NameN-[6-[[4-[5-[4-[(2,5-dimethylpyrazol-3-yl)carbamoyl]-1H-benzimidazol-2-yl]pyrazol-1-yl]phenyl]methyl]-4-methyl-2-pyridinyl]-2-(2-phenylpyrazol-3-yl)-1H-benzimidazole-4-carboxamide
SMILESCc1cc(Cc2ccc(-n3nccc3-c3nc4c(C(=O)Nc5cc(C)nn5C)cccc4[nH]3)cc2)nc(NC(=O)c2cccc3[nH]c(-c4ccnn4-c4ccccc4)nc23)c1
InChIInChI=1S/C46H37N13O2/c1-27-23-30(49-39(24-27)52-45(60)33-11-7-13-35-41(33)54-43(50-35)37-19-21-47-58(37)31-9-5-4-6-10-31)26-29-15-17-32(18-16-29)59-38(20-22-48-59)44-51-36-14-8-12-34(42(36)55-44)46(61)53-40-25-28(2)56-57(40)3/h4-25H,26H2,1-3H3,(H,50,54)(H,51,55)(H,53,61)(H,49,52,60)
InChIKeyXBBKJNKUNPYLRJ-UHFFFAOYSA-N
XLogP7.99
TPSA181.91 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500803.89
LogP ≤ 57.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze N-[6-[[4-[5-[4-[(2,5-dimethylpyrazol-3-yl)carbamoyl]-1H-benzimidazol-2-yl]pyrazol-1-yl]phenyl]methyl]-4-methyl-2-pyridinyl]-2-(2-phenylpyrazol-3-yl)-1H-benzimidazole-4-carboxamide with MolForge

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Related Compounds

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2-(1,6-dimethyl-1H-indazol-3-yl)-N-(3-methylpyrrolidin-3-yl)-5H-pyrrolo[3,2-b]pyrazine-7-carboxamide
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CID 44530647
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CID 135497872
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CID 50940358
3-[[4-amino-3-(2-amino-3H-benzimidazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-8-methyl-2-(2-methylphenyl)isoquinolin-1-one
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CID 58008608
N-[6-[4-amino-1-[(8-methyl-1-oxo-2-phenylisoquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1H-benzimidazol-2-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[6-[[4-[5-[4-[(2,5-dimethylpyrazol-3-yl)carbamoyl]-1H-benzimidazol-2-yl]pyrazol-1-yl]phenyl]methyl]-4-methyl-2-pyridinyl]-2-(2-phenylpyrazol-3-yl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of N-[6-[[4-[5-[4-[(2,5-dimethylpyrazol-3-yl)carbamoyl]-1H-benzimidazol-2-yl]pyrazol-1-yl]phenyl]methyl]-4-methyl-2-pyridinyl]-2-(2-phenylpyrazol-3-yl)-1H-benzimidazole-4-carboxamide (CID 136626630) is N-[6-[[4-[5-[4-[(2,5-dimethylpyrazol-3-yl)carbamoyl]-1H-benzimidazol-2-yl]pyrazol-1-yl]phenyl]methyl]-4-methyl-2-pyridinyl]-2-(2-phenylpyrazol-3-yl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for N-[6-[[4-[5-[4-[(2,5-dimethylpyrazol-3-yl)carbamoyl]-1H-benzimidazol-2-yl]pyrazol-1-yl]phenyl]methyl]-4-methyl-2-pyridinyl]-2-(2-phenylpyrazol-3-yl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for N-[6-[[4-[5-[4-[(2,5-dimethylpyrazol-3-yl)carbamoyl]-1H-benzimidazol-2-yl]pyrazol-1-yl]phenyl]methyl]-4-methyl-2-pyridinyl]-2-(2-phenylpyrazol-3-yl)-1H-benzimidazole-4-carboxamide is Cc1cc(Cc2ccc(-n3nccc3-c3nc4c(C(=O)Nc5cc(C)nn5C)cccc4[nH]3)cc2)nc(NC(=O)c2cccc3[nH]c(-c4ccnn4-c4ccccc4)nc23)c1.
What is the InChIKey of N-[6-[[4-[5-[4-[(2,5-dimethylpyrazol-3-yl)carbamoyl]-1H-benzimidazol-2-yl]pyrazol-1-yl]phenyl]methyl]-4-methyl-2-pyridinyl]-2-(2-phenylpyrazol-3-yl)-1H-benzimidazole-4-carboxamide?
The InChIKey is XBBKJNKUNPYLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H37N13O2/c1-27-23-30(49-39(24-27)52-45(60)33-11-7-13-35-41(33)54-43(50-35)37-19-21-47-58(37)31-9-5-4-6-10-31)26-29-15-17-32(18-16-29)59-38(20-22-48-59)44-51-36-14-8-12-34(42(36)55-44)46(61)53-40-25-28(2)56-57(40)3/h4-25H,26H2,1-3H3,(H,50,54)(H,51,55)(H,53,61)(H,49,52,60).
What are the key properties of N-[6-[[4-[5-[4-[(2,5-dimethylpyrazol-3-yl)carbamoyl]-1H-benzimidazol-2-yl]pyrazol-1-yl]phenyl]methyl]-4-methyl-2-pyridinyl]-2-(2-phenylpyrazol-3-yl)-1H-benzimidazole-4-carboxamide?
N-[6-[[4-[5-[4-[(2,5-dimethylpyrazol-3-yl)carbamoyl]-1H-benzimidazol-2-yl]pyrazol-1-yl]phenyl]methyl]-4-methyl-2-pyridinyl]-2-(2-phenylpyrazol-3-yl)-1H-benzimidazole-4-carboxamide has a molecular weight of 803.89 g/mol, XLogP of 7.99, 10 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[4-[5-[4-[(2,5-dimethylpyrazol-3-yl)carbamoyl]-1H-benzimidazol-2-yl]pyrazol-1-yl]phenyl]methyl]-4-methyl-2-pyridinyl]-2-(2-phenylpyrazol-3-yl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 136626630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).