N-(2,3-dihydro-1-benzofuran-7-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

C17H19N3O2 — CID 20738533

IUPACN-(2,3-dihydro-1-benzofuran-7-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESO=C(NCc1cccc2c1OCC2)C1CCc2nc[nH]c2C1
InChIInChI=1S/C17H19N3O2/c21-17(12-4-5-14-15(8-12)20-10-19-14)18-9-13-3-1-2-11-6-7-22-16(11)13/h1-3,10,12H,4-9H2,(H,18,21)(H,19,20)
InChIKeyAVLJELDKBAEODK-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.77
Rot. Bonds3

About N-(2,3-dihydro-1-benzofuran-7-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide

N-(2,3-dihydro-1-benzofuran-7-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (PubChem CID 20738533) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-7-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-7-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
PubChem CID20738533
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN-(2,3-dihydro-1-benzofuran-7-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
SMILESO=C(NCc1cccc2c1OCC2)C1CCc2nc[nH]c2C1
InChIInChI=1S/C17H19N3O2/c21-17(12-4-5-14-15(8-12)20-10-19-14)18-9-13-3-1-2-11-6-7-22-16(11)13/h1-3,10,12H,4-9H2,(H,18,21)(H,19,20)
InChIKeyAVLJELDKBAEODK-UHFFFAOYSA-N
XLogP1.77
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-N-(2,3-dihydro-1-benzofuran-7-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 164633259
(5S)-N-(1H-indol-3-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100661264
N-[(1-ethyl-2-oxo-3-pyridinyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 138035232
(5S)-N-[[2-(trifluoromethoxy)phenyl]methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100661137
(5R)-N-[[2-(trifluoromethoxy)phenyl]methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100661129
N-[(2-ethoxy-3-pyridinyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640228
N-(1,3-benzodioxol-5-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 91628324
(5S)-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100660418
N-[(4-chlorophenyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640012
(5R)-N-(2-acetamidoethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100662860
(5R)-N-(2-phenoxyethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 100661224
N-butyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90639977

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-7-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-7-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide (CID 20738533) is N-(2,3-dihydro-1-benzofuran-7-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-7-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-7-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is O=C(NCc1cccc2c1OCC2)C1CCc2nc[nH]c2C1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-7-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
The InChIKey is AVLJELDKBAEODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c21-17(12-4-5-14-15(8-12)20-10-19-14)18-9-13-3-1-2-11-6-7-22-16(11)13/h1-3,10,12H,4-9H2,(H,18,21)(H,19,20).
What are the key properties of N-(2,3-dihydro-1-benzofuran-7-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide?
N-(2,3-dihydro-1-benzofuran-7-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 1.77, 3 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-7-ylmethyl)-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 20738533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).