N'-methyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]-2,3-dihydroindole-1-carboximidamide

C20H21N5 — CID 110985056

IUPACN'-methyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]-2,3-dihydroindole-1-carboximidamide
SMILESC/N=C(\NCc1ncc(-c2ccccc2)[nH]1)N1CCc2ccccc21
InChIInChI=1S/C20H21N5/c1-21-20(25-12-11-16-9-5-6-10-18(16)25)23-14-19-22-13-17(24-19)15-7-3-2-4-8-15/h2-10,13H,11-12,14H2,1H3,(H,21,23)(H,22,24)
InChIKeyQWYNYDYOZAFRQM-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.21
Rot. Bonds3

About N'-methyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]-2,3-dihydroindole-1-carboximidamide

N'-methyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]-2,3-dihydroindole-1-carboximidamide (PubChem CID 110985056) has the molecular formula C20H21N5 and a molecular weight of 331.42 g/mol. Its IUPAC name is N'-methyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]-2,3-dihydroindole-1-carboximidamide.

Molecular Properties

Compound NameN'-methyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]-2,3-dihydroindole-1-carboximidamide
PubChem CID110985056
Molecular FormulaC20H21N5
Molecular Weight331.42 g/mol
Exact Mass331.18
IUPAC NameN'-methyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]-2,3-dihydroindole-1-carboximidamide
SMILESC/N=C(\NCc1ncc(-c2ccccc2)[nH]1)N1CCc2ccccc21
InChIInChI=1S/C20H21N5/c1-21-20(25-12-11-16-9-5-6-10-18(16)25)23-14-19-22-13-17(24-19)15-7-3-2-4-8-15/h2-10,13H,11-12,14H2,1H3,(H,21,23)(H,22,24)
InChIKeyQWYNYDYOZAFRQM-UHFFFAOYSA-N
XLogP3.21
TPSA56.31 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-2,3-dihydroindole-1-carboximidamide
CID 111495398
N'-methyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindole-2-carboximidamide;hydroiodide
CID 119145071
N'-methyl-N-(thiophen-3-ylmethyl)-2,3-dihydroindole-1-carboximidamide
CID 110983456
N'-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3-dihydroindole-1-carboximidamide
CID 110984898
N'-methyl-N-[(4-phenyl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroindole-1-carboximidamide;hydroiodide
CID 110984621
N-(2-hydroxy-2-phenylethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide
CID 119116456
N'-methyl-N-[(6-methyl-2-pyridinyl)methyl]-2,3-dihydroindole-1-carboximidamide
CID 110983974
N'-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2,3-dihydroindole-1-carboximidamide
CID 110985120
N-(furan-2-ylmethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide
CID 110984232
N-(furan-3-ylmethyl)-N'-methyl-2,3-dihydroindole-1-carboximidamide
CID 119116402
N'-methyl-N-pentyl-2,3-dihydroindole-1-carboximidamide
CID 110984242
N-[2-[di(propan-2-yl)amino]ethyl]-N'-methyl-2,3-dihydroindole-1-carboximidamide
CID 110984324

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]-2,3-dihydroindole-1-carboximidamide?
The IUPAC name of N'-methyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]-2,3-dihydroindole-1-carboximidamide (CID 110985056) is N'-methyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]-2,3-dihydroindole-1-carboximidamide.
What is the SMILES notation for N'-methyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]-2,3-dihydroindole-1-carboximidamide?
The canonical SMILES for N'-methyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]-2,3-dihydroindole-1-carboximidamide is C/N=C(\NCc1ncc(-c2ccccc2)[nH]1)N1CCc2ccccc21.
What is the InChIKey of N'-methyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]-2,3-dihydroindole-1-carboximidamide?
The InChIKey is QWYNYDYOZAFRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5/c1-21-20(25-12-11-16-9-5-6-10-18(16)25)23-14-19-22-13-17(24-19)15-7-3-2-4-8-15/h2-10,13H,11-12,14H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N'-methyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]-2,3-dihydroindole-1-carboximidamide?
N'-methyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]-2,3-dihydroindole-1-carboximidamide has a molecular weight of 331.42 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]-2,3-dihydroindole-1-carboximidamide is sourced from PubChem (CID 110985056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).