1-[3-[1-(2,3-dihydro-1-benzofuran-4-yl)imidazol-2-yl]phenyl]-N,N-dimethylethanamine

C21H23N3O — CID 138379325

IUPAC1-[3-[1-(2,3-dihydro-1-benzofuran-4-yl)imidazol-2-yl]phenyl]-N,N-dimethylethanamine
SMILESCC(c1cccc(-c2nccn2-c2cccc3c2CCO3)c1)N(C)C
InChIInChI=1S/C21H23N3O/c1-15(23(2)3)16-6-4-7-17(14-16)21-22-11-12-24(21)19-8-5-9-20-18(19)10-13-25-20/h4-9,11-12,14-15H,10,13H2,1-3H3
InChIKeyXAMHXJHKDNDLBQ-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.10
Rot. Bonds4

About 1-[3-[1-(2,3-dihydro-1-benzofuran-4-yl)imidazol-2-yl]phenyl]-N,N-dimethylethanamine

1-[3-[1-(2,3-dihydro-1-benzofuran-4-yl)imidazol-2-yl]phenyl]-N,N-dimethylethanamine (PubChem CID 138379325) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 1-[3-[1-(2,3-dihydro-1-benzofuran-4-yl)imidazol-2-yl]phenyl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name1-[3-[1-(2,3-dihydro-1-benzofuran-4-yl)imidazol-2-yl]phenyl]-N,N-dimethylethanamine
PubChem CID138379325
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name1-[3-[1-(2,3-dihydro-1-benzofuran-4-yl)imidazol-2-yl]phenyl]-N,N-dimethylethanamine
SMILESCC(c1cccc(-c2nccn2-c2cccc3c2CCO3)c1)N(C)C
InChIInChI=1S/C21H23N3O/c1-15(23(2)3)16-6-4-7-17(14-16)21-22-11-12-24(21)19-8-5-9-20-18(19)10-13-25-20/h4-9,11-12,14-15H,10,13H2,1-3H3
InChIKeyXAMHXJHKDNDLBQ-UHFFFAOYSA-N
XLogP4.10
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2,3-dihydro-1-benzofuran-4-yl)imidazol-2-yl]-1,4,5-trimethylimidazole
CID 138387378
1-(2,3-dihydro-1-benzofuran-4-yl)-2-(7-methoxy-1,3-benzodioxol-5-yl)imidazole
CID 138384537
3-[1-(2,3-dihydro-1-benzofuran-4-yl)imidazol-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine
CID 138382909
2-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-methylphenyl)imidazole
CID 58947269
3-[[2-[3-[1-(dimethylamino)ethyl]phenyl]imidazol-1-yl]methyl]benzoic acid
CID 70758433
5-[3-[(1S)-1-(dimethylamino)ethyl]phenyl]pyrimidin-2-amine
CID 39820225
5-[3-[1-(dimethylamino)ethyl]phenyl]-2,3-dihydroinden-1-one
CID 50966477
1-phenyl-2-[3-(1-phenylimidazol-2-yl)phenyl]imidazole
CID 58965505
2-(3,6-dihydro-2H-1-benzofuran-6-id-5-yl)-1-(2-methyl-6-phenylphenyl)imidazole;iridium
CID 58947574
4-butan-2-yl-2,3-dihydro-1-benzofuran
CID 144643347
6-[3-[(1R)-1-(dimethylamino)ethyl]phenyl]-N,N-dimethylpyridazin-3-amine
CID 97437078
CID 174065221
CID 174065221

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(2,3-dihydro-1-benzofuran-4-yl)imidazol-2-yl]phenyl]-N,N-dimethylethanamine?
The IUPAC name of 1-[3-[1-(2,3-dihydro-1-benzofuran-4-yl)imidazol-2-yl]phenyl]-N,N-dimethylethanamine (CID 138379325) is 1-[3-[1-(2,3-dihydro-1-benzofuran-4-yl)imidazol-2-yl]phenyl]-N,N-dimethylethanamine.
What is the SMILES notation for 1-[3-[1-(2,3-dihydro-1-benzofuran-4-yl)imidazol-2-yl]phenyl]-N,N-dimethylethanamine?
The canonical SMILES for 1-[3-[1-(2,3-dihydro-1-benzofuran-4-yl)imidazol-2-yl]phenyl]-N,N-dimethylethanamine is CC(c1cccc(-c2nccn2-c2cccc3c2CCO3)c1)N(C)C.
What is the InChIKey of 1-[3-[1-(2,3-dihydro-1-benzofuran-4-yl)imidazol-2-yl]phenyl]-N,N-dimethylethanamine?
The InChIKey is XAMHXJHKDNDLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-15(23(2)3)16-6-4-7-17(14-16)21-22-11-12-24(21)19-8-5-9-20-18(19)10-13-25-20/h4-9,11-12,14-15H,10,13H2,1-3H3.
What are the key properties of 1-[3-[1-(2,3-dihydro-1-benzofuran-4-yl)imidazol-2-yl]phenyl]-N,N-dimethylethanamine?
1-[3-[1-(2,3-dihydro-1-benzofuran-4-yl)imidazol-2-yl]phenyl]-N,N-dimethylethanamine has a molecular weight of 333.44 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(2,3-dihydro-1-benzofuran-4-yl)imidazol-2-yl]phenyl]-N,N-dimethylethanamine is sourced from PubChem (CID 138379325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).