N-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide

C29H30N4O — CID 43918185

IUPACN-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide
SMILESCc1nccn1Cc1ccc(C(=O)NCc2ccc(CN3CCc4ccccc4C3)cc2)cc1
InChIInChI=1S/C29H30N4O/c1-22-30-15-17-33(22)20-25-10-12-27(13-11-25)29(34)31-18-23-6-8-24(9-7-23)19-32-16-14-26-4-2-3-5-28(26)21-32/h2-13,15,17H,14,16,18-21H2,1H3,(H,31,34)
InChIKeyUVMHCGVPSGCYEJ-UHFFFAOYSA-N
MW450.59 g/mol
LogP4.73
Rot. Bonds7

About N-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide

N-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide (PubChem CID 43918185) has the molecular formula C29H30N4O and a molecular weight of 450.59 g/mol. Its IUPAC name is N-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide
PubChem CID43918185
Molecular FormulaC29H30N4O
Molecular Weight450.59 g/mol
Exact Mass450.24
IUPAC NameN-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide
SMILESCc1nccn1Cc1ccc(C(=O)NCc2ccc(CN3CCc4ccccc4C3)cc2)cc1
InChIInChI=1S/C29H30N4O/c1-22-30-15-17-33(22)20-25-10-12-27(13-11-25)29(34)31-18-23-6-8-24(9-7-23)19-32-16-14-26-4-2-3-5-28(26)21-32/h2-13,15,17H,14,16,18-21H2,1H3,(H,31,34)
InChIKeyUVMHCGVPSGCYEJ-UHFFFAOYSA-N
XLogP4.73
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.59
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide with MolForge

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Related Compounds

N-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 43918037
N-[3-(2,3-dihydroindol-1-yl)propyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide
CID 46773623
4-[(2-methylimidazol-1-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 43921887
4-(2,3-dihydroindol-1-ylmethyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]benzamide
CID 46772071
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[(3-fluorophenyl)methyl]benzamide
CID 53279655
N-[(2,5-diethylphenyl)methyl]-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide
CID 100719664
2,3-dihydroindol-1-yl-[4-[(2-methylimidazol-1-yl)methyl]phenyl]methanone
CID 43926287
4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-prop-2-enylbenzamide
CID 2864227
N-tert-butyl-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide
CID 745834
4-[(2-methylimidazol-1-yl)methyl]-N-(3-naphthalen-1-ylpropyl)benzamide
CID 100587934
N-[[4-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-3-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]benzamide
CID 43918019
4-[(2-methylimidazol-1-yl)methyl]-N-(2-methylphenyl)benzamide
CID 43919010

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide?
The IUPAC name of N-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide (CID 43918185) is N-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide.
What is the SMILES notation for N-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide?
The canonical SMILES for N-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide is Cc1nccn1Cc1ccc(C(=O)NCc2ccc(CN3CCc4ccccc4C3)cc2)cc1.
What is the InChIKey of N-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide?
The InChIKey is UVMHCGVPSGCYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O/c1-22-30-15-17-33(22)20-25-10-12-27(13-11-25)29(34)31-18-23-6-8-24(9-7-23)19-32-16-14-26-4-2-3-5-28(26)21-32/h2-13,15,17H,14,16,18-21H2,1H3,(H,31,34).
What are the key properties of N-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide?
N-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide has a molecular weight of 450.59 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methyl]-4-[(2-methylimidazol-1-yl)methyl]benzamide is sourced from PubChem (CID 43918185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).