2-(2,6-dichlorophenyl)-N-(1-methyl-3-phenylpyrazol-5-yl)-3H-benzimidazole-5-carboxamide;2-(2,6-dichlorophenyl)-N-(2-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxamide

C47H32Cl4N10O2 — CID 159319559

IUPAC2-(2,6-dichlorophenyl)-N-(1-methyl-3-phenylpyrazol-5-yl)-3H-benzimidazole-5-carboxamide;2-(2,6-dichlorophenyl)-N-(2-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxamide
SMILESCn1nc(-c2ccccc2)cc1NC(=O)c1ccc2nc(-c3c(Cl)cccc3Cl)[nH]c2c1.O=C(Nc1ccnn1-c1ccccc1)c1ccc2nc(-c3c(Cl)cccc3Cl)[nH]c2c1
InChIInChI=1S/C24H17Cl2N5O.C23H15Cl2N5O/c1-31-21(13-19(30-31)14-6-3-2-4-7-14)29-24(32)15-10-11-18-20(12-15)28-23(27-18)22-16(25)8-5-9-17(22)26;24-16-7-4-8-17(25)21(16)22-27-18-10-9-14(13-19(18)28-22)23(31)29-20-11-12-26-30(20)15-5-2-1-3-6-15/h2-13H,1H3,(H,27,28)(H,29,32);1-13H,(H,27,28)(H,29,31)
InChIKeyLDOTUJWYKCPJQH-UHFFFAOYSA-N
MW910.65 g/mol
LogP12.16
Rot. Bonds8

About 2-(2,6-dichlorophenyl)-N-(1-methyl-3-phenylpyrazol-5-yl)-3H-benzimidazole-5-carboxamide;2-(2,6-dichlorophenyl)-N-(2-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxamide

2-(2,6-dichlorophenyl)-N-(1-methyl-3-phenylpyrazol-5-yl)-3H-benzimidazole-5-carboxamide;2-(2,6-dichlorophenyl)-N-(2-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxamide (PubChem CID 159319559) has the molecular formula C47H32Cl4N10O2 and a molecular weight of 910.65 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-N-(1-methyl-3-phenylpyrazol-5-yl)-3H-benzimidazole-5-carboxamide;2-(2,6-dichlorophenyl)-N-(2-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-N-(1-methyl-3-phenylpyrazol-5-yl)-3H-benzimidazole-5-carboxamide;2-(2,6-dichlorophenyl)-N-(2-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxamide
PubChem CID159319559
Molecular FormulaC47H32Cl4N10O2
Molecular Weight910.65 g/mol
Exact Mass908.15
IUPAC Name2-(2,6-dichlorophenyl)-N-(1-methyl-3-phenylpyrazol-5-yl)-3H-benzimidazole-5-carboxamide;2-(2,6-dichlorophenyl)-N-(2-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxamide
SMILESCn1nc(-c2ccccc2)cc1NC(=O)c1ccc2nc(-c3c(Cl)cccc3Cl)[nH]c2c1.O=C(Nc1ccnn1-c1ccccc1)c1ccc2nc(-c3c(Cl)cccc3Cl)[nH]c2c1
InChIInChI=1S/C24H17Cl2N5O.C23H15Cl2N5O/c1-31-21(13-19(30-31)14-6-3-2-4-7-14)29-24(32)15-10-11-18-20(12-15)28-23(27-18)22-16(25)8-5-9-17(22)26;24-16-7-4-8-17(25)21(16)22-27-18-10-9-14(13-19(18)28-22)23(31)29-20-11-12-26-30(20)15-5-2-1-3-6-15/h2-13H,1H3,(H,27,28)(H,29,32);1-13H,(H,27,28)(H,29,31)
InChIKeyLDOTUJWYKCPJQH-UHFFFAOYSA-N
XLogP12.16
TPSA151.20 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500910.65
LogP ≤ 512.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

4-[[6-chloro-2-(1,3-dimethylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]amino]-N-phenylbenzamide
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US10351558, Example 44
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N-[5-[3-[(2,6-dichlorophenyl)methyl]benzimidazol-5-yl]-1H-pyrazol-3-yl]-4-(4-ethylpiperazin-1-yl)benzamide
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N-[5-[3-[(2,6-dichlorophenyl)methyl]benzimidazol-5-yl]-1H-pyrazol-3-yl]-4-[2-(dimethylamino)ethyl-methylamino]benzamide
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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-N-(1-methyl-3-phenylpyrazol-5-yl)-3H-benzimidazole-5-carboxamide;2-(2,6-dichlorophenyl)-N-(2-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-(2,6-dichlorophenyl)-N-(1-methyl-3-phenylpyrazol-5-yl)-3H-benzimidazole-5-carboxamide;2-(2,6-dichlorophenyl)-N-(2-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxamide (CID 159319559) is 2-(2,6-dichlorophenyl)-N-(1-methyl-3-phenylpyrazol-5-yl)-3H-benzimidazole-5-carboxamide;2-(2,6-dichlorophenyl)-N-(2-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-N-(1-methyl-3-phenylpyrazol-5-yl)-3H-benzimidazole-5-carboxamide;2-(2,6-dichlorophenyl)-N-(2-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-(2,6-dichlorophenyl)-N-(1-methyl-3-phenylpyrazol-5-yl)-3H-benzimidazole-5-carboxamide;2-(2,6-dichlorophenyl)-N-(2-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxamide is Cn1nc(-c2ccccc2)cc1NC(=O)c1ccc2nc(-c3c(Cl)cccc3Cl)[nH]c2c1.O=C(Nc1ccnn1-c1ccccc1)c1ccc2nc(-c3c(Cl)cccc3Cl)[nH]c2c1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-N-(1-methyl-3-phenylpyrazol-5-yl)-3H-benzimidazole-5-carboxamide;2-(2,6-dichlorophenyl)-N-(2-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxamide?
The InChIKey is LDOTUJWYKCPJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl2N5O.C23H15Cl2N5O/c1-31-21(13-19(30-31)14-6-3-2-4-7-14)29-24(32)15-10-11-18-20(12-15)28-23(27-18)22-16(25)8-5-9-17(22)26;24-16-7-4-8-17(25)21(16)22-27-18-10-9-14(13-19(18)28-22)23(31)29-20-11-12-26-30(20)15-5-2-1-3-6-15/h2-13H,1H3,(H,27,28)(H,29,32);1-13H,(H,27,28)(H,29,31).
What are the key properties of 2-(2,6-dichlorophenyl)-N-(1-methyl-3-phenylpyrazol-5-yl)-3H-benzimidazole-5-carboxamide;2-(2,6-dichlorophenyl)-N-(2-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxamide?
2-(2,6-dichlorophenyl)-N-(1-methyl-3-phenylpyrazol-5-yl)-3H-benzimidazole-5-carboxamide;2-(2,6-dichlorophenyl)-N-(2-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxamide has a molecular weight of 910.65 g/mol, XLogP of 12.16, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-N-(1-methyl-3-phenylpyrazol-5-yl)-3H-benzimidazole-5-carboxamide;2-(2,6-dichlorophenyl)-N-(2-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 159319559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).