2-(2,6-dichloroanilino)-6-methoxy-N-[(3-methyl-2-pyridinyl)methyl]-3H-benzimidazole-5-carboxamide

C22H19Cl2N5O2 — CID 70897211

IUPAC2-(2,6-dichloroanilino)-6-methoxy-N-[(3-methyl-2-pyridinyl)methyl]-3H-benzimidazole-5-carboxamide
SMILESCOc1cc2nc(Nc3c(Cl)cccc3Cl)[nH]c2cc1C(=O)NCc1ncccc1C
InChIInChI=1S/C22H19Cl2N5O2/c1-12-5-4-8-25-18(12)11-26-21(30)13-9-16-17(10-19(13)31-2)28-22(27-16)29-20-14(23)6-3-7-15(20)24/h3-10H,11H2,1-2H3,(H,26,30)(H2,27,28,29)
InChIKeyHHFLGCMPQBRRHG-UHFFFAOYSA-N
MW456.33 g/mol
LogP5.26
Rot. Bonds6

About 2-(2,6-dichloroanilino)-6-methoxy-N-[(3-methyl-2-pyridinyl)methyl]-3H-benzimidazole-5-carboxamide

2-(2,6-dichloroanilino)-6-methoxy-N-[(3-methyl-2-pyridinyl)methyl]-3H-benzimidazole-5-carboxamide (PubChem CID 70897211) has the molecular formula C22H19Cl2N5O2 and a molecular weight of 456.33 g/mol. Its IUPAC name is 2-(2,6-dichloroanilino)-6-methoxy-N-[(3-methyl-2-pyridinyl)methyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(2,6-dichloroanilino)-6-methoxy-N-[(3-methyl-2-pyridinyl)methyl]-3H-benzimidazole-5-carboxamide
PubChem CID70897211
Molecular FormulaC22H19Cl2N5O2
Molecular Weight456.33 g/mol
Exact Mass455.09
IUPAC Name2-(2,6-dichloroanilino)-6-methoxy-N-[(3-methyl-2-pyridinyl)methyl]-3H-benzimidazole-5-carboxamide
SMILESCOc1cc2nc(Nc3c(Cl)cccc3Cl)[nH]c2cc1C(=O)NCc1ncccc1C
InChIInChI=1S/C22H19Cl2N5O2/c1-12-5-4-8-25-18(12)11-26-21(30)13-9-16-17(10-19(13)31-2)28-22(27-16)29-20-14(23)6-3-7-15(20)24/h3-10H,11H2,1-2H3,(H,26,30)(H2,27,28,29)
InChIKeyHHFLGCMPQBRRHG-UHFFFAOYSA-N
XLogP5.26
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.33
LogP ≤ 55.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-(2,6-dichloroanilino)-6-methoxy-N-[(3-methyl-2-pyridinyl)methyl]-3H-benzimidazole-5-carboxamide with MolForge

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Related Compounds

2-(2,6-dichloroanilino)-6-fluoro-N-[(3-methoxy-2-pyridinyl)methyl]-1-methylbenzimidazole-5-carboxamide
CID 58562175
2-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyridine-3-carboxamide
CID 63306526
2-amino-3,4,5-trimethoxy-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 138006324
2-hydroxy-5-methoxy-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 63309154
3-chloro-N-[(3-methyl-2-pyridinyl)methyl]-2-nitrobenzamide
CID 79832472
3-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyridine-4-carboxamide
CID 66482597
2-amino-5-methoxy-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 63304829
2,5-dihydroxy-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 103892445
2-chloro-N-[(3-methyl-2-pyridinyl)methyl]-4-nitrobenzamide
CID 63372813
5-chloro-2-methoxy-4-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 110762042
6-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide
CID 63306782
2-[(3,5-dichloro-4-pyridinyl)amino]-N-[6-(difluoromethyl)-2-pyridinyl]-6-(2,2,2-trifluoroethoxy)-3H-benzimidazole-5-carboxamide
CID 45254242

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichloroanilino)-6-methoxy-N-[(3-methyl-2-pyridinyl)methyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-(2,6-dichloroanilino)-6-methoxy-N-[(3-methyl-2-pyridinyl)methyl]-3H-benzimidazole-5-carboxamide (CID 70897211) is 2-(2,6-dichloroanilino)-6-methoxy-N-[(3-methyl-2-pyridinyl)methyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-(2,6-dichloroanilino)-6-methoxy-N-[(3-methyl-2-pyridinyl)methyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-(2,6-dichloroanilino)-6-methoxy-N-[(3-methyl-2-pyridinyl)methyl]-3H-benzimidazole-5-carboxamide is COc1cc2nc(Nc3c(Cl)cccc3Cl)[nH]c2cc1C(=O)NCc1ncccc1C.
What is the InChIKey of 2-(2,6-dichloroanilino)-6-methoxy-N-[(3-methyl-2-pyridinyl)methyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is HHFLGCMPQBRRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl2N5O2/c1-12-5-4-8-25-18(12)11-26-21(30)13-9-16-17(10-19(13)31-2)28-22(27-16)29-20-14(23)6-3-7-15(20)24/h3-10H,11H2,1-2H3,(H,26,30)(H2,27,28,29).
What are the key properties of 2-(2,6-dichloroanilino)-6-methoxy-N-[(3-methyl-2-pyridinyl)methyl]-3H-benzimidazole-5-carboxamide?
2-(2,6-dichloroanilino)-6-methoxy-N-[(3-methyl-2-pyridinyl)methyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 456.33 g/mol, XLogP of 5.26, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichloroanilino)-6-methoxy-N-[(3-methyl-2-pyridinyl)methyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 70897211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).