N-(2,3-dihydro-1-benzofuran-3-yl)-4-methyl-1H-benzimidazole-2-carboxamide

C17H15N3O2 — CID 171677196

IUPACN-(2,3-dihydro-1-benzofuran-3-yl)-4-methyl-1H-benzimidazole-2-carboxamide
SMILESCc1cccc2[nH]c(C(=O)NC3COc4ccccc43)nc12
InChIInChI=1S/C17H15N3O2/c1-10-5-4-7-12-15(10)20-16(18-12)17(21)19-13-9-22-14-8-3-2-6-11(13)14/h2-8,13H,9H2,1H3,(H,18,20)(H,19,21)
InChIKeyJHFBBEDCARHMDI-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.73
Rot. Bonds2

About N-(2,3-dihydro-1-benzofuran-3-yl)-4-methyl-1H-benzimidazole-2-carboxamide

N-(2,3-dihydro-1-benzofuran-3-yl)-4-methyl-1H-benzimidazole-2-carboxamide (PubChem CID 171677196) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-3-yl)-4-methyl-1H-benzimidazole-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-3-yl)-4-methyl-1H-benzimidazole-2-carboxamide
PubChem CID171677196
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC NameN-(2,3-dihydro-1-benzofuran-3-yl)-4-methyl-1H-benzimidazole-2-carboxamide
SMILESCc1cccc2[nH]c(C(=O)NC3COc4ccccc43)nc12
InChIInChI=1S/C17H15N3O2/c1-10-5-4-7-12-15(10)20-16(18-12)17(21)19-13-9-22-14-8-3-2-6-11(13)14/h2-8,13H,9H2,1H3,(H,18,20)(H,19,21)
InChIKeyJHFBBEDCARHMDI-UHFFFAOYSA-N
XLogP2.73
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-3-yl)-4-methyl-1H-benzimidazole-2-carboxamide?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-3-yl)-4-methyl-1H-benzimidazole-2-carboxamide (CID 171677196) is N-(2,3-dihydro-1-benzofuran-3-yl)-4-methyl-1H-benzimidazole-2-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-3-yl)-4-methyl-1H-benzimidazole-2-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-3-yl)-4-methyl-1H-benzimidazole-2-carboxamide is Cc1cccc2[nH]c(C(=O)NC3COc4ccccc43)nc12.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-3-yl)-4-methyl-1H-benzimidazole-2-carboxamide?
The InChIKey is JHFBBEDCARHMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-10-5-4-7-12-15(10)20-16(18-12)17(21)19-13-9-22-14-8-3-2-6-11(13)14/h2-8,13H,9H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-(2,3-dihydro-1-benzofuran-3-yl)-4-methyl-1H-benzimidazole-2-carboxamide?
N-(2,3-dihydro-1-benzofuran-3-yl)-4-methyl-1H-benzimidazole-2-carboxamide has a molecular weight of 293.33 g/mol, XLogP of 2.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-3-yl)-4-methyl-1H-benzimidazole-2-carboxamide is sourced from PubChem (CID 171677196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).