1-[3-(2-chloro-6-methoxyphenyl)phenyl]benzimidazole-5-carboxamide

C21H16ClN3O2 — CID 24768668

IUPAC1-[3-(2-chloro-6-methoxyphenyl)phenyl]benzimidazole-5-carboxamide
SMILESCOc1cccc(Cl)c1-c1cccc(-n2cnc3cc(C(N)=O)ccc32)c1
InChIInChI=1S/C21H16ClN3O2/c1-27-19-7-3-6-16(22)20(19)13-4-2-5-15(10-13)25-12-24-17-11-14(21(23)26)8-9-18(17)25/h2-12H,1H3,(H2,23,26)
InChIKeyDKHAOYRDWVELEG-UHFFFAOYSA-N
MW377.83 g/mol
LogP4.45
Rot. Bonds4

About 1-[3-(2-chloro-6-methoxyphenyl)phenyl]benzimidazole-5-carboxamide

1-[3-(2-chloro-6-methoxyphenyl)phenyl]benzimidazole-5-carboxamide (PubChem CID 24768668) has the molecular formula C21H16ClN3O2 and a molecular weight of 377.83 g/mol. Its IUPAC name is 1-[3-(2-chloro-6-methoxyphenyl)phenyl]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-[3-(2-chloro-6-methoxyphenyl)phenyl]benzimidazole-5-carboxamide
PubChem CID24768668
Molecular FormulaC21H16ClN3O2
Molecular Weight377.83 g/mol
Exact Mass377.09
IUPAC Name1-[3-(2-chloro-6-methoxyphenyl)phenyl]benzimidazole-5-carboxamide
SMILESCOc1cccc(Cl)c1-c1cccc(-n2cnc3cc(C(N)=O)ccc32)c1
InChIInChI=1S/C21H16ClN3O2/c1-27-19-7-3-6-16(22)20(19)13-4-2-5-15(10-13)25-12-24-17-11-14(21(23)26)8-9-18(17)25/h2-12H,1H3,(H2,23,26)
InChIKeyDKHAOYRDWVELEG-UHFFFAOYSA-N
XLogP4.45
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.83
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-chloro-6-methoxyphenyl)phenyl]benzimidazole-5-carboxamide?
The IUPAC name of 1-[3-(2-chloro-6-methoxyphenyl)phenyl]benzimidazole-5-carboxamide (CID 24768668) is 1-[3-(2-chloro-6-methoxyphenyl)phenyl]benzimidazole-5-carboxamide.
What is the SMILES notation for 1-[3-(2-chloro-6-methoxyphenyl)phenyl]benzimidazole-5-carboxamide?
The canonical SMILES for 1-[3-(2-chloro-6-methoxyphenyl)phenyl]benzimidazole-5-carboxamide is COc1cccc(Cl)c1-c1cccc(-n2cnc3cc(C(N)=O)ccc32)c1.
What is the InChIKey of 1-[3-(2-chloro-6-methoxyphenyl)phenyl]benzimidazole-5-carboxamide?
The InChIKey is DKHAOYRDWVELEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O2/c1-27-19-7-3-6-16(22)20(19)13-4-2-5-15(10-13)25-12-24-17-11-14(21(23)26)8-9-18(17)25/h2-12H,1H3,(H2,23,26).
What are the key properties of 1-[3-(2-chloro-6-methoxyphenyl)phenyl]benzimidazole-5-carboxamide?
1-[3-(2-chloro-6-methoxyphenyl)phenyl]benzimidazole-5-carboxamide has a molecular weight of 377.83 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-chloro-6-methoxyphenyl)phenyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 24768668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).