N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-3H-benzimidazole-5-carboxamide

C16H15N3O2 — CID 60735715

IUPACN-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-3H-benzimidazole-5-carboxamide
SMILESO=C(NC1CCCc2occc21)c1ccc2nc[nH]c2c1
InChIInChI=1S/C16H15N3O2/c20-16(10-4-5-13-14(8-10)18-9-17-13)19-12-2-1-3-15-11(12)6-7-21-15/h4-9,12H,1-3H2,(H,17,18)(H,19,20)
InChIKeyCKBRTZHYLHJEHB-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.96
Rot. Bonds2

About N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-3H-benzimidazole-5-carboxamide

N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-3H-benzimidazole-5-carboxamide (PubChem CID 60735715) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-3H-benzimidazole-5-carboxamide
PubChem CID60735715
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC NameN-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-3H-benzimidazole-5-carboxamide
SMILESO=C(NC1CCCc2occc21)c1ccc2nc[nH]c2c1
InChIInChI=1S/C16H15N3O2/c20-16(10-4-5-13-14(8-10)18-9-17-13)19-12-2-1-3-15-11(12)6-7-21-15/h4-9,12H,1-3H2,(H,17,18)(H,19,20)
InChIKeyCKBRTZHYLHJEHB-UHFFFAOYSA-N
XLogP2.96
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide
CID 86923832
N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-3H-benzimidazole-5-carboxamide
CID 25324948
N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 86923838
N-cycloheptyl-3H-benzimidazole-5-carboxamide
CID 27646859
3-amino-4-bromo-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide
CID 107813044
N-(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)-3H-benzimidazole-5-carboxamide
CID 47017686
4-chloro-3-nitro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide
CID 3491144
3-methyl-4-oxo-2-sulfanylidene-N-[(4S)-4,5,6,7-tetrahydro-1-benzofuran-4-yl]-1H-quinazoline-7-carboxamide
CID 98287911
N-[(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl]-3H-benzimidazole-5-carboxamide
CID 91394335
1-ethyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzotriazole-5-carboxamide
CID 78849399
6-propan-2-yloxy-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridine-3-carboxamide
CID 86986073
2-chloro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pyridine-3-carboxamide
CID 60734553

Frequently Asked Questions

What is the IUPAC name of N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-3H-benzimidazole-5-carboxamide (CID 60735715) is N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-3H-benzimidazole-5-carboxamide is O=C(NC1CCCc2occc21)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-3H-benzimidazole-5-carboxamide?
The InChIKey is CKBRTZHYLHJEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c20-16(10-4-5-13-14(8-10)18-9-17-13)19-12-2-1-3-15-11(12)6-7-21-15/h4-9,12H,1-3H2,(H,17,18)(H,19,20).
What are the key properties of N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-3H-benzimidazole-5-carboxamide?
N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-3H-benzimidazole-5-carboxamide has a molecular weight of 281.31 g/mol, XLogP of 2.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 60735715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).