N-[(1-methylimidazol-2-yl)methyl]-N-(3-phenylpropyl)-2,3-dihydro-1-benzofuran-5-carboxamide

C23H25N3O2 — CID 42782275

IUPACN-[(1-methylimidazol-2-yl)methyl]-N-(3-phenylpropyl)-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCn1ccnc1CN(CCCc1ccccc1)C(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C23H25N3O2/c1-25-14-12-24-22(25)17-26(13-5-8-18-6-3-2-4-7-18)23(27)20-9-10-21-19(16-20)11-15-28-21/h2-4,6-7,9-10,12,14,16H,5,8,11,13,15,17H2,1H3
InChIKeyGCFFCZRNQIMQDZ-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.63
Rot. Bonds7

About N-[(1-methylimidazol-2-yl)methyl]-N-(3-phenylpropyl)-2,3-dihydro-1-benzofuran-5-carboxamide

N-[(1-methylimidazol-2-yl)methyl]-N-(3-phenylpropyl)-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 42782275) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)methyl]-N-(3-phenylpropyl)-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)methyl]-N-(3-phenylpropyl)-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID42782275
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC NameN-[(1-methylimidazol-2-yl)methyl]-N-(3-phenylpropyl)-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCn1ccnc1CN(CCCc1ccccc1)C(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C23H25N3O2/c1-25-14-12-24-22(25)17-26(13-5-8-18-6-3-2-4-7-18)23(27)20-9-10-21-19(16-20)11-15-28-21/h2-4,6-7,9-10,12,14,16H,5,8,11,13,15,17H2,1H3
InChIKeyGCFFCZRNQIMQDZ-UHFFFAOYSA-N
XLogP3.63
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-[(1-methylimidazol-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 42782261
N-(4-phenylbutyl)-N-[2-(propan-2-ylamino)pyrimidin-4-yl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 58702656
N-ethyl-4-(1-methylimidazol-2-yl)-N-(3-phenylpropyl)benzamide
CID 119072670
1-benzyl-N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]pyrazole-4-carboxamide
CID 74247387
2-[2,3-dihydro-1-benzofuran-5-carbonyl(propyl)amino]acetic acid
CID 61013012
N-[(1-methylbenzimidazol-2-yl)methyl]-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 3290235
1-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine
CID 61212599
N-[(1-methylimidazol-2-yl)methyl]-N-(2-methylpropyl)quinoline-6-carboxamide
CID 42793535
N-(2-chloroethyl)-N-ethyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 63395170
N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 56739353
N-[2-(1-benzylimidazol-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 134027547
N-benzyl-N-propyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 134028436

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-N-(3-phenylpropyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-N-(3-phenylpropyl)-2,3-dihydro-1-benzofuran-5-carboxamide (CID 42782275) is N-[(1-methylimidazol-2-yl)methyl]-N-(3-phenylpropyl)-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)methyl]-N-(3-phenylpropyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for N-[(1-methylimidazol-2-yl)methyl]-N-(3-phenylpropyl)-2,3-dihydro-1-benzofuran-5-carboxamide is Cn1ccnc1CN(CCCc1ccccc1)C(=O)c1ccc2c(c1)CCO2.
What is the InChIKey of N-[(1-methylimidazol-2-yl)methyl]-N-(3-phenylpropyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is GCFFCZRNQIMQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-25-14-12-24-22(25)17-26(13-5-8-18-6-3-2-4-7-18)23(27)20-9-10-21-19(16-20)11-15-28-21/h2-4,6-7,9-10,12,14,16H,5,8,11,13,15,17H2,1H3.
What are the key properties of N-[(1-methylimidazol-2-yl)methyl]-N-(3-phenylpropyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
N-[(1-methylimidazol-2-yl)methyl]-N-(3-phenylpropyl)-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 3.63, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)methyl]-N-(3-phenylpropyl)-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 42782275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).