N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

C20H22N4O — CID 166239437

IUPACN-[(1,7-dimethylbenzimidazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMILESCc1cccc2nc(CNC(=O)C3CNCc4ccccc43)n(C)c12
InChIInChI=1S/C20H22N4O/c1-13-6-5-9-17-19(13)24(2)18(23-17)12-22-20(25)16-11-21-10-14-7-3-4-8-15(14)16/h3-9,16,21H,10-12H2,1-2H3,(H,22,25)
InChIKeyUCHLGYPCFYDDDZ-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.38
Rot. Bonds3

About N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (PubChem CID 166239437) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(1,7-dimethylbenzimidazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
PubChem CID166239437
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC NameN-[(1,7-dimethylbenzimidazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMILESCc1cccc2nc(CNC(=O)C3CNCc4ccccc43)n(C)c12
InChIInChI=1S/C20H22N4O/c1-13-6-5-9-17-19(13)24(2)18(23-17)12-22-20(25)16-11-21-10-14-7-3-4-8-15(14)16/h3-9,16,21H,10-12H2,1-2H3,(H,22,25)
InChIKeyUCHLGYPCFYDDDZ-UHFFFAOYSA-N
XLogP2.38
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-dihydroisoindol-2-yl)-N-[(1,7-dimethylbenzimidazol-2-yl)methyl]acetamide
CID 71911492
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 79231898
N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride
CID 120954955
N-[(4-methylmorpholin-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 79082206
5-cyclopropyl-N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-1H-pyrazole-3-carboxamide
CID 136515181
9-amino-N-[(1,7-dimethylbenzimidazol-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120992778
N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 71848970
N-(2-acetamidoethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260988
N-prop-2-ynyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260647
N-[2-(1-methylimidazol-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65262436
N-[(1,7-dimethylbenzimidazol-2-yl)methyl]ethanamine
CID 81455738
N-[(1-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260755

Frequently Asked Questions

What is the IUPAC name of N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The IUPAC name of N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (CID 166239437) is N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide.
What is the SMILES notation for N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The canonical SMILES for N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide is Cc1cccc2nc(CNC(=O)C3CNCc4ccccc43)n(C)c12.
What is the InChIKey of N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The InChIKey is UCHLGYPCFYDDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-13-6-5-9-17-19(13)24(2)18(23-17)12-22-20(25)16-11-21-10-14-7-3-4-8-15(14)16/h3-9,16,21H,10-12H2,1-2H3,(H,22,25).
What are the key properties of N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide is sourced from PubChem (CID 166239437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).