2-methyl-N-[1-[(3-methylphenyl)methyl]imidazol-4-yl]-3,4-dihydro-1H-isoquinoline-6-carboxamide

C22H24N4O — CID 135209368

IUPAC2-methyl-N-[1-[(3-methylphenyl)methyl]imidazol-4-yl]-3,4-dihydro-1H-isoquinoline-6-carboxamide
SMILESCc1cccc(Cn2cnc(NC(=O)c3ccc4c(c3)CCN(C)C4)c2)c1
InChIInChI=1S/C22H24N4O/c1-16-4-3-5-17(10-16)12-26-14-21(23-15-26)24-22(27)19-6-7-20-13-25(2)9-8-18(20)11-19/h3-7,10-11,14-15H,8-9,12-13H2,1-2H3,(H,24,27)
InChIKeyBCTACUAEPWXOKE-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.48
Rot. Bonds4

About 2-methyl-N-[1-[(3-methylphenyl)methyl]imidazol-4-yl]-3,4-dihydro-1H-isoquinoline-6-carboxamide

2-methyl-N-[1-[(3-methylphenyl)methyl]imidazol-4-yl]-3,4-dihydro-1H-isoquinoline-6-carboxamide (PubChem CID 135209368) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-methyl-N-[1-[(3-methylphenyl)methyl]imidazol-4-yl]-3,4-dihydro-1H-isoquinoline-6-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[1-[(3-methylphenyl)methyl]imidazol-4-yl]-3,4-dihydro-1H-isoquinoline-6-carboxamide
PubChem CID135209368
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name2-methyl-N-[1-[(3-methylphenyl)methyl]imidazol-4-yl]-3,4-dihydro-1H-isoquinoline-6-carboxamide
SMILESCc1cccc(Cn2cnc(NC(=O)c3ccc4c(c3)CCN(C)C4)c2)c1
InChIInChI=1S/C22H24N4O/c1-16-4-3-5-17(10-16)12-26-14-21(23-15-26)24-22(27)19-6-7-20-13-25(2)9-8-18(20)11-19/h3-7,10-11,14-15H,8-9,12-13H2,1-2H3,(H,24,27)
InChIKeyBCTACUAEPWXOKE-UHFFFAOYSA-N
XLogP3.48
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]-3,4-dihydro-1H-isoquinoline-6-carboxamide
CID 134518215
6-[(1-benzylimidazol-4-yl)carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid
CID 134518248
tert-butyl 4,4-dimethyl-6-[[1-[(3-methylphenyl)methyl]imidazol-4-yl]carbamoyl]-1,3-dihydroisoquinoline-2-carboxylate
CID 135209334
6-(aminomethyl)-N-[1-[(3-methylphenyl)methyl]imidazol-4-yl]pyridine-3-carboxamide
CID 129224371
N-[1-[(3-hydroxyphenyl)methyl]imidazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
CID 135209383
N-[1-(pyridin-3-ylmethyl)imidazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
CID 135209382
(E)-3-(3-methylphenyl)-N-[1-[(3-methylphenyl)methyl]imidazol-4-yl]prop-2-enamide
CID 159880450
6-(1,2-dihydroxyethyl)-5-fluoro-N-[1-[(3-methylphenyl)methyl]imidazol-4-yl]pyridine-3-carboxamide
CID 129224342
N-[1-[(3-methylphenyl)methyl]imidazol-4-yl]-4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide
CID 135209359
N-(1-benzylimidazol-4-yl)-1-(2-chloroacetyl)-3,4-dihydro-2H-quinoline-6-carboxamide
CID 170709749
N-[1-[(3-chlorophenyl)methyl]imidazol-4-yl]-1H-pyrrole-3-carboxamide
CID 130384067
4,4-dimethyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]-2,3-dihydro-1H-isoquinoline-6-carboxamide
CID 135211826

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-[(3-methylphenyl)methyl]imidazol-4-yl]-3,4-dihydro-1H-isoquinoline-6-carboxamide?
The IUPAC name of 2-methyl-N-[1-[(3-methylphenyl)methyl]imidazol-4-yl]-3,4-dihydro-1H-isoquinoline-6-carboxamide (CID 135209368) is 2-methyl-N-[1-[(3-methylphenyl)methyl]imidazol-4-yl]-3,4-dihydro-1H-isoquinoline-6-carboxamide.
What is the SMILES notation for 2-methyl-N-[1-[(3-methylphenyl)methyl]imidazol-4-yl]-3,4-dihydro-1H-isoquinoline-6-carboxamide?
The canonical SMILES for 2-methyl-N-[1-[(3-methylphenyl)methyl]imidazol-4-yl]-3,4-dihydro-1H-isoquinoline-6-carboxamide is Cc1cccc(Cn2cnc(NC(=O)c3ccc4c(c3)CCN(C)C4)c2)c1.
What is the InChIKey of 2-methyl-N-[1-[(3-methylphenyl)methyl]imidazol-4-yl]-3,4-dihydro-1H-isoquinoline-6-carboxamide?
The InChIKey is BCTACUAEPWXOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-16-4-3-5-17(10-16)12-26-14-21(23-15-26)24-22(27)19-6-7-20-13-25(2)9-8-18(20)11-19/h3-7,10-11,14-15H,8-9,12-13H2,1-2H3,(H,24,27).
What are the key properties of 2-methyl-N-[1-[(3-methylphenyl)methyl]imidazol-4-yl]-3,4-dihydro-1H-isoquinoline-6-carboxamide?
2-methyl-N-[1-[(3-methylphenyl)methyl]imidazol-4-yl]-3,4-dihydro-1H-isoquinoline-6-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-[(3-methylphenyl)methyl]imidazol-4-yl]-3,4-dihydro-1H-isoquinoline-6-carboxamide is sourced from PubChem (CID 135209368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).