1-[(5-phenyl-1H-imidazol-2-yl)methyl]-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)urea

C20H21N5O — CID 166363565

IUPAC1-[(5-phenyl-1H-imidazol-2-yl)methyl]-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)urea
SMILESO=C(NCc1ncc(-c2ccccc2)[nH]1)Nc1cccc2c1CCNC2
InChIInChI=1S/C20H21N5O/c26-20(25-17-8-4-7-15-11-21-10-9-16(15)17)23-13-19-22-12-18(24-19)14-5-2-1-3-6-14/h1-8,12,21H,9-11,13H2,(H,22,24)(H2,23,25,26)
InChIKeyBJWMFNMPFKHYLK-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.04
Rot. Bonds4

About 1-[(5-phenyl-1H-imidazol-2-yl)methyl]-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)urea

1-[(5-phenyl-1H-imidazol-2-yl)methyl]-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)urea (PubChem CID 166363565) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-[(5-phenyl-1H-imidazol-2-yl)methyl]-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)urea.

Molecular Properties

Compound Name1-[(5-phenyl-1H-imidazol-2-yl)methyl]-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)urea
PubChem CID166363565
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name1-[(5-phenyl-1H-imidazol-2-yl)methyl]-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)urea
SMILESO=C(NCc1ncc(-c2ccccc2)[nH]1)Nc1cccc2c1CCNC2
InChIInChI=1S/C20H21N5O/c26-20(25-17-8-4-7-15-11-21-10-9-16(15)17)23-13-19-22-12-18(24-19)14-5-2-1-3-6-14/h1-8,12,21H,9-11,13H2,(H,22,24)(H2,23,25,26)
InChIKeyBJWMFNMPFKHYLK-UHFFFAOYSA-N
XLogP3.04
TPSA81.84 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 1-[(5-phenyl-1H-imidazol-2-yl)methyl]-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)urea with MolForge

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Related Compounds

2-hydroxy-2-phenyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide
CID 80547709
1-(1,3-benzodioxol-5-yl)-3-[(5-phenyl-1H-imidazol-2-yl)methyl]urea
CID 86867482
1-[3-(methoxymethyl)phenyl]-3-[(5-phenyl-1H-imidazol-2-yl)methyl]urea
CID 75502062
1-(2-cyclopropyl-2-methylpropyl)-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)urea
CID 138021590
N-[2-oxo-2-[(5-phenyl-1H-imidazol-2-yl)methylamino]ethyl]benzamide
CID 51100573
1-(4-methylphenyl)-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)urea
CID 43808490
2-pyrazol-1-yl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)propanamide
CID 80554367
2,2,3,3-tetramethyl-N-(1,2,3,4-tetrahydroisoquinolin-5-yl)cyclopropane-1-carboxamide
CID 80554406
(5-pyridin-3-yl-1H-imidazol-2-yl)methylcarbamic acid
CID 143516631
N-[[5-(4-bromophenyl)-1H-imidazol-2-yl]methyl]-2-ethyl-3,4-dihydro-1H-isoquinolin-5-amine;2,2,2-trifluoroacetic acid
CID 166202149
N-[(5-phenyl-1H-imidazol-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 49494521
N-[(5-phenyl-1H-imidazol-2-yl)methyl]-1,2-oxazole-5-carboxamide
CID 71801268

Frequently Asked Questions

What is the IUPAC name of 1-[(5-phenyl-1H-imidazol-2-yl)methyl]-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)urea?
The IUPAC name of 1-[(5-phenyl-1H-imidazol-2-yl)methyl]-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)urea (CID 166363565) is 1-[(5-phenyl-1H-imidazol-2-yl)methyl]-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)urea.
What is the SMILES notation for 1-[(5-phenyl-1H-imidazol-2-yl)methyl]-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)urea?
The canonical SMILES for 1-[(5-phenyl-1H-imidazol-2-yl)methyl]-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)urea is O=C(NCc1ncc(-c2ccccc2)[nH]1)Nc1cccc2c1CCNC2.
What is the InChIKey of 1-[(5-phenyl-1H-imidazol-2-yl)methyl]-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)urea?
The InChIKey is BJWMFNMPFKHYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c26-20(25-17-8-4-7-15-11-21-10-9-16(15)17)23-13-19-22-12-18(24-19)14-5-2-1-3-6-14/h1-8,12,21H,9-11,13H2,(H,22,24)(H2,23,25,26).
What are the key properties of 1-[(5-phenyl-1H-imidazol-2-yl)methyl]-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)urea?
1-[(5-phenyl-1H-imidazol-2-yl)methyl]-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)urea has a molecular weight of 347.42 g/mol, XLogP of 3.04, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-phenyl-1H-imidazol-2-yl)methyl]-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)urea is sourced from PubChem (CID 166363565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).