N-[3-(1H-benzimidazol-2-yl)phenyl]-3,5-dichloro-4-methoxybenzamide

C21H15Cl2N3O2 — CID 2279050

IUPACN-[3-(1H-benzimidazol-2-yl)phenyl]-3,5-dichloro-4-methoxybenzamide
SMILESCOc1c(Cl)cc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1Cl
InChIInChI=1S/C21H15Cl2N3O2/c1-28-19-15(22)10-13(11-16(19)23)21(27)24-14-6-4-5-12(9-14)20-25-17-7-2-3-8-18(17)26-20/h2-11H,1H3,(H,24,27)(H,25,26)
InChIKeyHLZGMQUQFUAEIZ-UHFFFAOYSA-N
MW412.28 g/mol
LogP5.80
Rot. Bonds4

About N-[3-(1H-benzimidazol-2-yl)phenyl]-3,5-dichloro-4-methoxybenzamide

N-[3-(1H-benzimidazol-2-yl)phenyl]-3,5-dichloro-4-methoxybenzamide (PubChem CID 2279050) has the molecular formula C21H15Cl2N3O2 and a molecular weight of 412.28 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)phenyl]-3,5-dichloro-4-methoxybenzamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)phenyl]-3,5-dichloro-4-methoxybenzamide
PubChem CID2279050
Molecular FormulaC21H15Cl2N3O2
Molecular Weight412.28 g/mol
Exact Mass411.05
IUPAC NameN-[3-(1H-benzimidazol-2-yl)phenyl]-3,5-dichloro-4-methoxybenzamide
SMILESCOc1c(Cl)cc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1Cl
InChIInChI=1S/C21H15Cl2N3O2/c1-28-19-15(22)10-13(11-16(19)23)21(27)24-14-6-4-5-12(9-14)20-25-17-7-2-3-8-18(17)26-20/h2-11H,1H3,(H,24,27)(H,25,26)
InChIKeyHLZGMQUQFUAEIZ-UHFFFAOYSA-N
XLogP5.80
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.28
LogP ≤ 55.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-benzimidazol-2-yl)-5-chloro-2-methoxybenzamide
CID 853490
2-(4-(4-chlorophenoxy)phenyl)-1H-benzimidazole-5-carboxamide
CID 9969021
2-(4-methoxyphenyl)-1H-1,3-benzodiazole-4-carboxamide
CID 10423087
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-3,4,5-trimethoxybenzamide
CID 2032313
N-1H-Benzimidazol-2-yl-4-methoxybenzamide
CID 2081294
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-methoxybenzamide
CID 2787162
3,4-dimethoxy-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide
CID 1262390
N-[4-(1H-benzimidazol-2-yl)phenyl]-5-chloro-2-methoxybenzamide
CID 1367400
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-1,3-benzodioxole-5-carboxamide
CID 2208803
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-4-propoxybenzamide
CID 2718165
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-4-methoxybenzamide
CID 5343894
2-(4-p-Tolyloxy-phenyl)-1H-benzoimidazole-5-carboxylic acid amide
CID 9902666

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)phenyl]-3,5-dichloro-4-methoxybenzamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)phenyl]-3,5-dichloro-4-methoxybenzamide (CID 2279050) is N-[3-(1H-benzimidazol-2-yl)phenyl]-3,5-dichloro-4-methoxybenzamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)phenyl]-3,5-dichloro-4-methoxybenzamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)phenyl]-3,5-dichloro-4-methoxybenzamide is COc1c(Cl)cc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1Cl.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)phenyl]-3,5-dichloro-4-methoxybenzamide?
The InChIKey is HLZGMQUQFUAEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl2N3O2/c1-28-19-15(22)10-13(11-16(19)23)21(27)24-14-6-4-5-12(9-14)20-25-17-7-2-3-8-18(17)26-20/h2-11H,1H3,(H,24,27)(H,25,26).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)phenyl]-3,5-dichloro-4-methoxybenzamide?
N-[3-(1H-benzimidazol-2-yl)phenyl]-3,5-dichloro-4-methoxybenzamide has a molecular weight of 412.28 g/mol, XLogP of 5.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)phenyl]-3,5-dichloro-4-methoxybenzamide is sourced from PubChem (CID 2279050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).