5-(imidazol-1-ylmethyl)-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]furan-2-carboxamide

C20H22N4O2 — CID 95426777

IUPAC5-(imidazol-1-ylmethyl)-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]furan-2-carboxamide
SMILESCN1Cc2ccccc2C[C@H]1CNC(=O)c1ccc(Cn2ccnc2)o1
InChIInChI=1S/C20H22N4O2/c1-23-12-16-5-3-2-4-15(16)10-17(23)11-22-20(25)19-7-6-18(26-19)13-24-9-8-21-14-24/h2-9,14,17H,10-13H2,1H3,(H,22,25)/t17-/m0/s1
InChIKeyRENGSIVATYLJSW-KRWDZBQOSA-N
MW350.42 g/mol
LogP2.31
Rot. Bonds5

About 5-(imidazol-1-ylmethyl)-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]furan-2-carboxamide

5-(imidazol-1-ylmethyl)-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]furan-2-carboxamide (PubChem CID 95426777) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 5-(imidazol-1-ylmethyl)-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(imidazol-1-ylmethyl)-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]furan-2-carboxamide
PubChem CID95426777
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name5-(imidazol-1-ylmethyl)-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]furan-2-carboxamide
SMILESCN1Cc2ccccc2C[C@H]1CNC(=O)c1ccc(Cn2ccnc2)o1
InChIInChI=1S/C20H22N4O2/c1-23-12-16-5-3-2-4-15(16)10-17(23)11-22-20(25)19-7-6-18(26-19)13-24-9-8-21-14-24/h2-9,14,17H,10-13H2,1H3,(H,22,25)/t17-/m0/s1
InChIKeyRENGSIVATYLJSW-KRWDZBQOSA-N
XLogP2.31
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(imidazol-1-ylmethyl)-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]furan-2-carboxamide with MolForge

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Related Compounds

5-(imidazol-1-ylmethyl)-N-(1-phenylcyclopentyl)furan-2-carboxamide
CID 86777635
5-fluoro-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]pyridine-3-carboxamide
CID 124756454
methyl (1S,2R,3R,4S)-3-[[5-(imidazol-1-ylmethyl)furan-2-carbonyl]amino]bicyclo[2.2.1]heptane-2-carboxylate
CID 129432761
methyl (1S,2S,3S,4S)-3-[[5-(imidazol-1-ylmethyl)furan-2-carbonyl]amino]bicyclo[2.2.1]heptane-2-carboxylate
CID 98515091
5-ethyl-N-(3-imidazol-1-ylpropyl)furan-2-carboxamide
CID 47027033
5-(chloromethyl)-N-(2-imidazol-1-ylethyl)furan-2-carboxamide
CID 82109593
2-anilino-N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]pyrimidine-5-carboxamide
CID 72849015
cis-methyl (1R,2S)-2-[[5-(imidazol-1-ylmethyl)furan-2-carbonyl]amino]cycloheptane-1-carboxylate
CID 97053856
1-[10-[5-(imidazol-1-ylmethyl)furan-2-carbonyl]-2,10-diazabicyclo[10.4.0]hexadeca-1(16),12,14-trien-2-yl]ethanone
CID 133068622
[5-(imidazol-1-ylmethyl)furan-2-yl]-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 56879395
[(4aR,7aS)-1-methyl-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-[5-(imidazol-1-ylmethyl)furan-2-yl]methanone
CID 70763384
N-(3-imidazol-1-ylpropyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 9463031

Frequently Asked Questions

What is the IUPAC name of 5-(imidazol-1-ylmethyl)-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]furan-2-carboxamide?
The IUPAC name of 5-(imidazol-1-ylmethyl)-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]furan-2-carboxamide (CID 95426777) is 5-(imidazol-1-ylmethyl)-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for 5-(imidazol-1-ylmethyl)-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]furan-2-carboxamide?
The canonical SMILES for 5-(imidazol-1-ylmethyl)-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]furan-2-carboxamide is CN1Cc2ccccc2C[C@H]1CNC(=O)c1ccc(Cn2ccnc2)o1.
What is the InChIKey of 5-(imidazol-1-ylmethyl)-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]furan-2-carboxamide?
The InChIKey is RENGSIVATYLJSW-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-23-12-16-5-3-2-4-15(16)10-17(23)11-22-20(25)19-7-6-18(26-19)13-24-9-8-21-14-24/h2-9,14,17H,10-13H2,1H3,(H,22,25)/t17-/m0/s1.
What are the key properties of 5-(imidazol-1-ylmethyl)-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]furan-2-carboxamide?
5-(imidazol-1-ylmethyl)-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]furan-2-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(imidazol-1-ylmethyl)-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 95426777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).