N-(1H-benzimidazol-2-yl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide

C17H12ClN3O2 — CID 2547579

IUPACN-(1H-benzimidazol-2-yl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2nc3ccccc3[nH]2)oc2c(Cl)cccc12
InChIInChI=1S/C17H12ClN3O2/c1-9-10-5-4-6-11(18)15(10)23-14(9)16(22)21-17-19-12-7-2-3-8-13(12)20-17/h2-8H,1H3,(H2,19,20,21,22)
InChIKeyRYYCDFZJPBABAD-UHFFFAOYSA-N
MW325.75 g/mol
LogP4.52
Rot. Bonds2

About N-(1H-benzimidazol-2-yl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide

N-(1H-benzimidazol-2-yl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 2547579) has the molecular formula C17H12ClN3O2 and a molecular weight of 325.75 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide
PubChem CID2547579
Molecular FormulaC17H12ClN3O2
Molecular Weight325.75 g/mol
Exact Mass325.06
IUPAC NameN-(1H-benzimidazol-2-yl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2nc3ccccc3[nH]2)oc2c(Cl)cccc12
InChIInChI=1S/C17H12ClN3O2/c1-9-10-5-4-6-11(18)15(10)23-14(9)16(22)21-17-19-12-7-2-3-8-13(12)20-17/h2-8H,1H3,(H2,19,20,21,22)
InChIKeyRYYCDFZJPBABAD-UHFFFAOYSA-N
XLogP4.52
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.75
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide (CID 2547579) is N-(1H-benzimidazol-2-yl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)Nc2nc3ccccc3[nH]2)oc2c(Cl)cccc12.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is RYYCDFZJPBABAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3O2/c1-9-10-5-4-6-11(18)15(10)23-14(9)16(22)21-17-19-12-7-2-3-8-13(12)20-17/h2-8H,1H3,(H2,19,20,21,22).
What are the key properties of N-(1H-benzimidazol-2-yl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide?
N-(1H-benzimidazol-2-yl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 325.75 g/mol, XLogP of 4.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-7-chloro-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 2547579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).