2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N,N-diethyl-1-(2-hydroxyethyl)benzimidazole-5-carboxamide

C23H27N3O3 — CID 143523233

IUPAC2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N,N-diethyl-1-(2-hydroxyethyl)benzimidazole-5-carboxamide
SMILESCCN(CC)C(=O)c1ccc2c(c1)nc(Cc1ccc3c(c1)CCO3)n2CCO
InChIInChI=1S/C23H27N3O3/c1-3-25(4-2)23(28)18-6-7-20-19(15-18)24-22(26(20)10-11-27)14-16-5-8-21-17(13-16)9-12-29-21/h5-8,13,15,27H,3-4,9-12,14H2,1-2H3
InChIKeyPBDPVZCKBMVIQM-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.04
Rot. Bonds7

About 2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N,N-diethyl-1-(2-hydroxyethyl)benzimidazole-5-carboxamide

2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N,N-diethyl-1-(2-hydroxyethyl)benzimidazole-5-carboxamide (PubChem CID 143523233) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N,N-diethyl-1-(2-hydroxyethyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N,N-diethyl-1-(2-hydroxyethyl)benzimidazole-5-carboxamide
PubChem CID143523233
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N,N-diethyl-1-(2-hydroxyethyl)benzimidazole-5-carboxamide
SMILESCCN(CC)C(=O)c1ccc2c(c1)nc(Cc1ccc3c(c1)CCO3)n2CCO
InChIInChI=1S/C23H27N3O3/c1-3-25(4-2)23(28)18-6-7-20-19(15-18)24-22(26(20)10-11-27)14-16-5-8-21-17(13-16)9-12-29-21/h5-8,13,15,27H,3-4,9-12,14H2,1-2H3
InChIKeyPBDPVZCKBMVIQM-UHFFFAOYSA-N
XLogP3.04
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-butyl-2-(2,3-dihydro-1-benzofuran-5-ylmethyl)benzimidazole-5-carbaldehyde
CID 143523251
1-[3-[3-[5-(diethylcarbamoyl)-2-[(4-ethoxyphenyl)methyl]benzimidazol-1-yl]propyl-methylamino]propyl]-2-[(4-ethoxyphenyl)methyl]-N,N-diethylbenzimidazole-5-carboxamide
CID 118706313
N,N-diethyl-3,4-dihydro-2H-chromene-6-carboxamide
CID 110693371
methyl 3-[5-(diethylcarbamoyl)-2-[(4-ethoxyphenyl)methyl]benzimidazol-1-yl]propanoate
CID 10274791
2-[(4-ethoxyphenyl)methyl]-N,N-diethyl-1-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]benzimidazole-5-carboxamide
CID 155526434
2-[2-(diethylaminomethyl)-5-ethylbenzimidazol-1-yl]ethanol
CID 82311680
N-(4-aminophenyl)-N-ethyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 63233821
2,3-dihydro-1-benzofuran-5-yl-(3-ethyl-1-methylpyrazol-4-yl)methanone
CID 102811856
N-ethyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 79698342
2-[(4-ethoxyphenyl)methyl]-1-[[(2S)-oxolan-2-yl]methyl]-N,N-bis(2,2,2-trifluoroethyl)benzimidazole-5-carboxamide
CID 10098873
2-[2,3-dihydro-1-benzofuran-5-carbonyl(propyl)amino]acetic acid
CID 61013012
2-tert-butyl-1-(cycloheptylmethyl)-N,N-diethylbenzimidazole-5-carboxamide
CID 142973031

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N,N-diethyl-1-(2-hydroxyethyl)benzimidazole-5-carboxamide?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N,N-diethyl-1-(2-hydroxyethyl)benzimidazole-5-carboxamide (CID 143523233) is 2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N,N-diethyl-1-(2-hydroxyethyl)benzimidazole-5-carboxamide.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N,N-diethyl-1-(2-hydroxyethyl)benzimidazole-5-carboxamide?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N,N-diethyl-1-(2-hydroxyethyl)benzimidazole-5-carboxamide is CCN(CC)C(=O)c1ccc2c(c1)nc(Cc1ccc3c(c1)CCO3)n2CCO.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N,N-diethyl-1-(2-hydroxyethyl)benzimidazole-5-carboxamide?
The InChIKey is PBDPVZCKBMVIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-3-25(4-2)23(28)18-6-7-20-19(15-18)24-22(26(20)10-11-27)14-16-5-8-21-17(13-16)9-12-29-21/h5-8,13,15,27H,3-4,9-12,14H2,1-2H3.
What are the key properties of 2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N,N-diethyl-1-(2-hydroxyethyl)benzimidazole-5-carboxamide?
2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N,N-diethyl-1-(2-hydroxyethyl)benzimidazole-5-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N,N-diethyl-1-(2-hydroxyethyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 143523233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).