2-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

C22H24N4O2 — CID 77091038

IUPAC2-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
SMILESNC(=O)C1Cc2ccccc2CN1Cc1ccc(OCCn2ccnc2)cc1
InChIInChI=1S/C22H24N4O2/c23-22(27)21-13-18-3-1-2-4-19(18)15-26(21)14-17-5-7-20(8-6-17)28-12-11-25-10-9-24-16-25/h1-10,16,21H,11-15H2,(H2,23,27)
InChIKeyARQBFFBUHZOEKJ-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.37
Rot. Bonds7

About 2-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

2-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide (PubChem CID 77091038) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide.

Molecular Properties

Compound Name2-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
PubChem CID77091038
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name2-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
SMILESNC(=O)C1Cc2ccccc2CN1Cc1ccc(OCCn2ccnc2)cc1
InChIInChI=1S/C22H24N4O2/c23-22(27)21-13-18-3-1-2-4-19(18)15-26(21)14-17-5-7-20(8-6-17)28-12-11-25-10-9-24-16-25/h1-10,16,21H,11-15H2,(H2,23,27)
InChIKeyARQBFFBUHZOEKJ-UHFFFAOYSA-N
XLogP2.37
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide with MolForge

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Related Compounds

2-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 17459602
2-[(3,4-dimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 75438446
1-[4-(2-imidazol-1-ylethoxy)phenyl]-2-phenylethanone
CID 18518429
2-[4-(imidazol-1-ylmethyl)phenoxy]acetic acid
CID 12870444
2-[4-(2-imidazol-1-ylethoxy)phenyl]ethanamine
CID 43253780
(3S)-2-benzyl-3-(imidazol-1-ylmethyl)-3,4-dihydro-1H-isoquinoline
CID 67667874
2-[(4-chlorophenyl)methyl]-3-(imidazol-1-ylmethyl)-3,4-dihydro-1H-isoquinoline
CID 18914346
1-[2-(4-ethylphenoxy)ethyl]imidazole
CID 867238
[4-[(3-carbamoyl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-2,6-dimethylphenyl] acetate
CID 46992453
2-[(3S)-4-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]morpholin-3-yl]-N,N-dimethylacetamide
CID 95871764
(3S)-2-[(4-fluorophenyl)methyl]-3-(imidazol-1-ylmethyl)-3,4-dihydro-1H-isoquinoline
CID 67668022
1-[4-(3-imidazol-1-ylpropoxy)phenyl]propan-2-one
CID 115495270

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The IUPAC name of 2-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide (CID 77091038) is 2-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide.
What is the SMILES notation for 2-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The canonical SMILES for 2-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide is NC(=O)C1Cc2ccccc2CN1Cc1ccc(OCCn2ccnc2)cc1.
What is the InChIKey of 2-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide?
The InChIKey is ARQBFFBUHZOEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c23-22(27)21-13-18-3-1-2-4-19(18)15-26(21)14-17-5-7-20(8-6-17)28-12-11-25-10-9-24-16-25/h1-10,16,21H,11-15H2,(H2,23,27).
What are the key properties of 2-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide?
2-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-imidazol-1-ylethoxy)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide is sourced from PubChem (CID 77091038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).