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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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).