N-[4-(1H-benzimidazol-2-yl)phenyl]-3,4-dichlorobenzamide

C20H13Cl2N3O — CID 1249688

IUPACN-[4-(1H-benzimidazol-2-yl)phenyl]-3,4-dichlorobenzamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H13Cl2N3O/c21-15-10-7-13(11-16(15)22)20(26)23-14-8-5-12(6-9-14)19-24-17-3-1-2-4-18(17)25-19/h1-11H,(H,23,26)(H,24,25)
InChIKeyDIEQMPSZRNQVTH-UHFFFAOYSA-N
MW382.25 g/mol
LogP5.79
Rot. Bonds3

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

N-[4-(1H-benzimidazol-2-yl)phenyl]-3,4-dichlorobenzamide (PubChem CID 1249688) has the molecular formula C20H13Cl2N3O and a molecular weight of 382.25 g/mol. Its IUPAC name is N-[4-(1H-benzimidazol-2-yl)phenyl]-3,4-dichlorobenzamide.

Molecular Properties

Compound NameN-[4-(1H-benzimidazol-2-yl)phenyl]-3,4-dichlorobenzamide
PubChem CID1249688
Molecular FormulaC20H13Cl2N3O
Molecular Weight382.25 g/mol
Exact Mass381.04
IUPAC NameN-[4-(1H-benzimidazol-2-yl)phenyl]-3,4-dichlorobenzamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C20H13Cl2N3O/c21-15-10-7-13(11-16(15)22)20(26)23-14-8-5-12(6-9-14)19-24-17-3-1-2-4-18(17)25-19/h1-11H,(H,23,26)(H,24,25)
InChIKeyDIEQMPSZRNQVTH-UHFFFAOYSA-N
XLogP5.79
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.25
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-3,4-dichlorobenzamide?
The IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-3,4-dichlorobenzamide (CID 1249688) is N-[4-(1H-benzimidazol-2-yl)phenyl]-3,4-dichlorobenzamide.
What is the SMILES notation for N-[4-(1H-benzimidazol-2-yl)phenyl]-3,4-dichlorobenzamide?
The canonical SMILES for N-[4-(1H-benzimidazol-2-yl)phenyl]-3,4-dichlorobenzamide is O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[4-(1H-benzimidazol-2-yl)phenyl]-3,4-dichlorobenzamide?
The InChIKey is DIEQMPSZRNQVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2N3O/c21-15-10-7-13(11-16(15)22)20(26)23-14-8-5-12(6-9-14)19-24-17-3-1-2-4-18(17)25-19/h1-11H,(H,23,26)(H,24,25).
What are the key properties of N-[4-(1H-benzimidazol-2-yl)phenyl]-3,4-dichlorobenzamide?
N-[4-(1H-benzimidazol-2-yl)phenyl]-3,4-dichlorobenzamide has a molecular weight of 382.25 g/mol, XLogP of 5.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-benzimidazol-2-yl)phenyl]-3,4-dichlorobenzamide is sourced from PubChem (CID 1249688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).