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

C17H13N3O2 — CID 2117785

IUPACN-(1H-benzimidazol-2-yl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2nc3ccccc3[nH]2)oc2ccccc12
InChIInChI=1S/C17H13N3O2/c1-10-11-6-2-5-9-14(11)22-15(10)16(21)20-17-18-12-7-3-4-8-13(12)19-17/h2-9H,1H3,(H2,18,19,20,21)
InChIKeyTYDFMELDUQFLME-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.87
Rot. Bonds2

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

N-(1H-benzimidazol-2-yl)-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 2117785) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-3-methyl-1-benzofuran-2-carboxamide
PubChem CID2117785
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC NameN-(1H-benzimidazol-2-yl)-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2nc3ccccc3[nH]2)oc2ccccc12
InChIInChI=1S/C17H13N3O2/c1-10-11-6-2-5-9-14(11)22-15(10)16(21)20-17-18-12-7-3-4-8-13(12)19-17/h2-9H,1H3,(H2,18,19,20,21)
InChIKeyTYDFMELDUQFLME-UHFFFAOYSA-N
XLogP3.87
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.87
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)-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-3-methyl-1-benzofuran-2-carboxamide (CID 2117785) is N-(1H-benzimidazol-2-yl)-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)Nc2nc3ccccc3[nH]2)oc2ccccc12.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is TYDFMELDUQFLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2/c1-10-11-6-2-5-9-14(11)22-15(10)16(21)20-17-18-12-7-3-4-8-13(12)19-17/h2-9H,1H3,(H2,18,19,20,21).
What are the key properties of N-(1H-benzimidazol-2-yl)-3-methyl-1-benzofuran-2-carboxamide?
N-(1H-benzimidazol-2-yl)-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 291.31 g/mol, XLogP of 3.87, 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)-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 2117785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).