N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-phenyl-1H-benzimidazole-4-carboxamide

C20H14Cl2N4O2 — CID 22663247

IUPACN-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-phenyl-1H-benzimidazole-4-carboxamide
SMILESCOc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2nc(-c3ccccc3)[nH]c12
InChIInChI=1S/C20H14Cl2N4O2/c1-28-15-8-7-12(20(27)26-17-13(21)9-23-10-14(17)22)16-18(15)25-19(24-16)11-5-3-2-4-6-11/h2-10H,1H3,(H,24,25)(H,23,26,27)
InChIKeyOIYAHRWNLXYAQZ-UHFFFAOYSA-N
MW413.26 g/mol
LogP5.19
Rot. Bonds4

About N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-phenyl-1H-benzimidazole-4-carboxamide

N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-phenyl-1H-benzimidazole-4-carboxamide (PubChem CID 22663247) has the molecular formula C20H14Cl2N4O2 and a molecular weight of 413.26 g/mol. Its IUPAC name is N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-phenyl-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-phenyl-1H-benzimidazole-4-carboxamide
PubChem CID22663247
Molecular FormulaC20H14Cl2N4O2
Molecular Weight413.26 g/mol
Exact Mass412.05
IUPAC NameN-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-phenyl-1H-benzimidazole-4-carboxamide
SMILESCOc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2nc(-c3ccccc3)[nH]c12
InChIInChI=1S/C20H14Cl2N4O2/c1-28-15-8-7-12(20(27)26-17-13(21)9-23-10-14(17)22)16-18(15)25-19(24-16)11-5-3-2-4-6-11/h2-10H,1H3,(H,24,25)(H,23,26,27)
InChIKeyOIYAHRWNLXYAQZ-UHFFFAOYSA-N
XLogP5.19
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.26
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-propan-2-yl-1H-benzimidazole-4-carboxamide
CID 22663199
methyl 7-methoxy-2-phenyl-1H-benzimidazole-4-carboxylate
CID 22663468
N-(3,5-dichloro-4-pyridinyl)-7-methoxy-3-phenyl-1-benzofuran-4-carboxamide
CID 22733967
N-(3,5-dichloro-4-pyridinyl)-5-methoxy-2,3-dihydro-1,4-benzodioxine-8-carboxamide
CID 22734457
N-(3,5-dichloro-4-pyridinyl)-7-methoxy-1-benzofuran-4-carboxamide
CID 22734346
N-(3,5-dichloro-4-pyridinyl)-2-[2-[(1S)-1,2-diphenylethyl]-7-methoxy-1H-benzimidazol-4-yl]acetamide
CID 139836002
N-(3,5-dichloro-4-pyridinyl)-6-methoxy-3,4-dihydro-2H-1,5-benzodioxepine-9-carboxamide
CID 22734027
methyl 3-cyano-2-(7-methoxy-2-phenyl-1H-benzimidazol-4-yl)propanoate
CID 57287312
sodium;N-(3,5-dichloro-4-pyridinyl)-6-methoxy-[1]benzofuro[2,3-d]pyridazine-9-carboxamide;hydride
CID 172996861
N-(3,5-dichloro-4-pyridinyl)-4-methoxy-3-(pyridine-2-carbonyl)benzamide
CID 54422123
N-(2,6-dichlorophenyl)-2,3,4-trimethoxybenzamide
CID 2347602
7-N-(3,5-dichloro-4-pyridinyl)-2-N-ethyl-4-methoxy-1-benzofuran-2,7-dicarboxamide
CID 143332294

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-phenyl-1H-benzimidazole-4-carboxamide?
The IUPAC name of N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-phenyl-1H-benzimidazole-4-carboxamide (CID 22663247) is N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-phenyl-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-phenyl-1H-benzimidazole-4-carboxamide?
The canonical SMILES for N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-phenyl-1H-benzimidazole-4-carboxamide is COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2nc(-c3ccccc3)[nH]c12.
What is the InChIKey of N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-phenyl-1H-benzimidazole-4-carboxamide?
The InChIKey is OIYAHRWNLXYAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2N4O2/c1-28-15-8-7-12(20(27)26-17-13(21)9-23-10-14(17)22)16-18(15)25-19(24-16)11-5-3-2-4-6-11/h2-10H,1H3,(H,24,25)(H,23,26,27).
What are the key properties of N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-phenyl-1H-benzimidazole-4-carboxamide?
N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-phenyl-1H-benzimidazole-4-carboxamide has a molecular weight of 413.26 g/mol, XLogP of 5.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-phenyl-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 22663247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).