N-(4-tert-butyl-2-pyridinyl)-2-(2,6-dichloroanilino)-1-methylbenzimidazole-5-carboxamide

C24H23Cl2N5O — CID 58562138

IUPACN-(4-tert-butyl-2-pyridinyl)-2-(2,6-dichloroanilino)-1-methylbenzimidazole-5-carboxamide
SMILESCn1c(Nc2c(Cl)cccc2Cl)nc2cc(C(=O)Nc3cc(C(C)(C)C)ccn3)ccc21
InChIInChI=1S/C24H23Cl2N5O/c1-24(2,3)15-10-11-27-20(13-15)29-22(32)14-8-9-19-18(12-14)28-23(31(19)4)30-21-16(25)6-5-7-17(21)26/h5-13H,1-4H3,(H,28,30)(H,27,29,32)
InChIKeyQYJRTFJUVGMNIJ-UHFFFAOYSA-N
MW468.39 g/mol
LogP6.57
Rot. Bonds4

About N-(4-tert-butyl-2-pyridinyl)-2-(2,6-dichloroanilino)-1-methylbenzimidazole-5-carboxamide

N-(4-tert-butyl-2-pyridinyl)-2-(2,6-dichloroanilino)-1-methylbenzimidazole-5-carboxamide (PubChem CID 58562138) has the molecular formula C24H23Cl2N5O and a molecular weight of 468.39 g/mol. Its IUPAC name is N-(4-tert-butyl-2-pyridinyl)-2-(2,6-dichloroanilino)-1-methylbenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butyl-2-pyridinyl)-2-(2,6-dichloroanilino)-1-methylbenzimidazole-5-carboxamide
PubChem CID58562138
Molecular FormulaC24H23Cl2N5O
Molecular Weight468.39 g/mol
Exact Mass467.13
IUPAC NameN-(4-tert-butyl-2-pyridinyl)-2-(2,6-dichloroanilino)-1-methylbenzimidazole-5-carboxamide
SMILESCn1c(Nc2c(Cl)cccc2Cl)nc2cc(C(=O)Nc3cc(C(C)(C)C)ccn3)ccc21
InChIInChI=1S/C24H23Cl2N5O/c1-24(2,3)15-10-11-27-20(13-15)29-22(32)14-8-9-19-18(12-14)28-23(31(19)4)30-21-16(25)6-5-7-17(21)26/h5-13H,1-4H3,(H,28,30)(H,27,29,32)
InChIKeyQYJRTFJUVGMNIJ-UHFFFAOYSA-N
XLogP6.57
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.39
LogP ≤ 56.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,6-dichloroanilino)-6-fluoro-1-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzimidazole-5-carboxamide
CID 45137150
N-(4-chloro-2-pyridinyl)-2-(2,6-dichloroanilino)-1-(5-oxohexyl)benzimidazole-5-carboxamide
CID 58562411
N-(4-chloro-2-pyridinyl)-2-(2,6-dichloroanilino)-1-(3-methoxypropyl)benzimidazole-5-carboxamide
CID 58562336
2-(2,6-dichloroanilino)-1-methylbenzimidazole-5-carboxylic acid;methyl 2-(2,6-dichloroanilino)-1-methylbenzimidazole-5-carboxylate
CID 162200376
2-(2,6-dichloroanilino)-1-methyl-N-(1-methylcyclohexyl)benzimidazole-5-carboxamide
CID 58562143
3-tert-butyl-N-(1-methylbenzimidazol-2-yl)benzamide
CID 139382529
CID 89078169
CID 89078169
N-(4-bromophenyl)-2-(2,6-dimethylanilino)-1-methylbenzimidazole-5-carboxamide
CID 58562326
N-[4-[2-(3-tert-butylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-2-piperidin-1-ylacetamide
CID 59790061
7-bromo-N-(3-chlorophenyl)-2-(2,6-dichloroanilino)-1-methylbenzimidazole-5-carboxamide
CID 58562302
N-[4-[2-(3-tert-butylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]oxolane-3-carboxamide
CID 59789993
4-[2-(3-tert-butylanilino)-1-methylbenzimidazol-5-yl]oxypyridine-2-carboxamide;molecular hydrogen
CID 159824014

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-2-pyridinyl)-2-(2,6-dichloroanilino)-1-methylbenzimidazole-5-carboxamide?
The IUPAC name of N-(4-tert-butyl-2-pyridinyl)-2-(2,6-dichloroanilino)-1-methylbenzimidazole-5-carboxamide (CID 58562138) is N-(4-tert-butyl-2-pyridinyl)-2-(2,6-dichloroanilino)-1-methylbenzimidazole-5-carboxamide.
What is the SMILES notation for N-(4-tert-butyl-2-pyridinyl)-2-(2,6-dichloroanilino)-1-methylbenzimidazole-5-carboxamide?
The canonical SMILES for N-(4-tert-butyl-2-pyridinyl)-2-(2,6-dichloroanilino)-1-methylbenzimidazole-5-carboxamide is Cn1c(Nc2c(Cl)cccc2Cl)nc2cc(C(=O)Nc3cc(C(C)(C)C)ccn3)ccc21.
What is the InChIKey of N-(4-tert-butyl-2-pyridinyl)-2-(2,6-dichloroanilino)-1-methylbenzimidazole-5-carboxamide?
The InChIKey is QYJRTFJUVGMNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2N5O/c1-24(2,3)15-10-11-27-20(13-15)29-22(32)14-8-9-19-18(12-14)28-23(31(19)4)30-21-16(25)6-5-7-17(21)26/h5-13H,1-4H3,(H,28,30)(H,27,29,32).
What are the key properties of N-(4-tert-butyl-2-pyridinyl)-2-(2,6-dichloroanilino)-1-methylbenzimidazole-5-carboxamide?
N-(4-tert-butyl-2-pyridinyl)-2-(2,6-dichloroanilino)-1-methylbenzimidazole-5-carboxamide has a molecular weight of 468.39 g/mol, XLogP of 6.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-2-pyridinyl)-2-(2,6-dichloroanilino)-1-methylbenzimidazole-5-carboxamide is sourced from PubChem (CID 58562138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).