2-[3-(5-methoxy-3-pyridinyl)phenyl]-1H-benzimidazole-4-carboxamide

C20H16N4O2 — CID 71819279

IUPAC2-[3-(5-methoxy-3-pyridinyl)phenyl]-1H-benzimidazole-4-carboxamide
SMILESCOc1cncc(-c2cccc(-c3nc4c(C(N)=O)cccc4[nH]3)c2)c1
InChIInChI=1S/C20H16N4O2/c1-26-15-9-14(10-22-11-15)12-4-2-5-13(8-12)20-23-17-7-3-6-16(19(21)25)18(17)24-20/h2-11H,1H3,(H2,21,25)(H,23,24)
InChIKeyIMQXZDOBCHEMHN-UHFFFAOYSA-N
MW344.37 g/mol
LogP3.40
Rot. Bonds4

About 2-[3-(5-methoxy-3-pyridinyl)phenyl]-1H-benzimidazole-4-carboxamide

2-[3-(5-methoxy-3-pyridinyl)phenyl]-1H-benzimidazole-4-carboxamide (PubChem CID 71819279) has the molecular formula C20H16N4O2 and a molecular weight of 344.37 g/mol. Its IUPAC name is 2-[3-(5-methoxy-3-pyridinyl)phenyl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[3-(5-methoxy-3-pyridinyl)phenyl]-1H-benzimidazole-4-carboxamide
PubChem CID71819279
Molecular FormulaC20H16N4O2
Molecular Weight344.37 g/mol
Exact Mass344.13
IUPAC Name2-[3-(5-methoxy-3-pyridinyl)phenyl]-1H-benzimidazole-4-carboxamide
SMILESCOc1cncc(-c2cccc(-c3nc4c(C(N)=O)cccc4[nH]3)c2)c1
InChIInChI=1S/C20H16N4O2/c1-26-15-9-14(10-22-11-15)12-4-2-5-13(8-12)20-23-17-7-3-6-16(19(21)25)18(17)24-20/h2-11H,1H3,(H2,21,25)(H,23,24)
InChIKeyIMQXZDOBCHEMHN-UHFFFAOYSA-N
XLogP3.40
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-methoxy-3-pyridinyl)phenyl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-[3-(5-methoxy-3-pyridinyl)phenyl]-1H-benzimidazole-4-carboxamide (CID 71819279) is 2-[3-(5-methoxy-3-pyridinyl)phenyl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-[3-(5-methoxy-3-pyridinyl)phenyl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-[3-(5-methoxy-3-pyridinyl)phenyl]-1H-benzimidazole-4-carboxamide is COc1cncc(-c2cccc(-c3nc4c(C(N)=O)cccc4[nH]3)c2)c1.
What is the InChIKey of 2-[3-(5-methoxy-3-pyridinyl)phenyl]-1H-benzimidazole-4-carboxamide?
The InChIKey is IMQXZDOBCHEMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2/c1-26-15-9-14(10-22-11-15)12-4-2-5-13(8-12)20-23-17-7-3-6-16(19(21)25)18(17)24-20/h2-11H,1H3,(H2,21,25)(H,23,24).
What are the key properties of 2-[3-(5-methoxy-3-pyridinyl)phenyl]-1H-benzimidazole-4-carboxamide?
2-[3-(5-methoxy-3-pyridinyl)phenyl]-1H-benzimidazole-4-carboxamide has a molecular weight of 344.37 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-methoxy-3-pyridinyl)phenyl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 71819279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).