N-[(7-methoxy-4,5-dihydro-3H-benzo[e]benzimidazol-2-yl)methyl]-2-methylpropan-2-amine

C17H23N3O — CID 63927825

IUPACN-[(7-methoxy-4,5-dihydro-3H-benzo[e]benzimidazol-2-yl)methyl]-2-methylpropan-2-amine
SMILESCOc1ccc2c(c1)CCc1[nH]c(CNC(C)(C)C)nc1-2
InChIInChI=1S/C17H23N3O/c1-17(2,3)18-10-15-19-14-8-5-11-9-12(21-4)6-7-13(11)16(14)20-15/h6-7,9,18H,5,8,10H2,1-4H3,(H,19,20)
InChIKeyXPEFGEUZPFVDAP-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.07
Rot. Bonds3

About N-[(7-methoxy-4,5-dihydro-3H-benzo[e]benzimidazol-2-yl)methyl]-2-methylpropan-2-amine

N-[(7-methoxy-4,5-dihydro-3H-benzo[e]benzimidazol-2-yl)methyl]-2-methylpropan-2-amine (PubChem CID 63927825) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[(7-methoxy-4,5-dihydro-3H-benzo[e]benzimidazol-2-yl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(7-methoxy-4,5-dihydro-3H-benzo[e]benzimidazol-2-yl)methyl]-2-methylpropan-2-amine
PubChem CID63927825
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-[(7-methoxy-4,5-dihydro-3H-benzo[e]benzimidazol-2-yl)methyl]-2-methylpropan-2-amine
SMILESCOc1ccc2c(c1)CCc1[nH]c(CNC(C)(C)C)nc1-2
InChIInChI=1S/C17H23N3O/c1-17(2,3)18-10-15-19-14-8-5-11-9-12(21-4)6-7-13(11)16(14)20-15/h6-7,9,18H,5,8,10H2,1-4H3,(H,19,20)
InChIKeyXPEFGEUZPFVDAP-UHFFFAOYSA-N
XLogP3.07
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(7-methoxy-4,5-dihydro-3H-benzo[e]benzimidazol-2-yl)methyl]-2-methylpropan-2-amine with MolForge

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Related Compounds

8-methoxy-N-(4-methoxyphenyl)-5,6-dihydrobenzo[h]quinazolin-2-amine
CID 18918768
N-[(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)methyl]-2-methylpropan-1-amine
CID 62921983
8-methoxy-N-propyl-5,6-dihydrobenzo[h]cinnolin-3-amine
CID 62783867
2-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)acetonitrile
CID 24693523
N-[[2-(2-fluoro-4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-methylpropan-2-amine
CID 102885630
7-methoxy-4,5-dihydro-2H-benzo[e]isoindole-1,3-diol
CID 54106372
N-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]-2-methylpropan-2-amine
CID 65335669
1-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)propan-2-amine
CID 62652486
cobalt(2+);7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-amine
CID 71595556
5-tert-butyl-13-methoxy-3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaene
CID 59295630
ethane;7-methoxy-2-methyl-4,5-dihydrobenzo[g]indazole
CID 143217654
8-methoxy-2-(methylamino)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile
CID 62196297

Frequently Asked Questions

What is the IUPAC name of N-[(7-methoxy-4,5-dihydro-3H-benzo[e]benzimidazol-2-yl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(7-methoxy-4,5-dihydro-3H-benzo[e]benzimidazol-2-yl)methyl]-2-methylpropan-2-amine (CID 63927825) is N-[(7-methoxy-4,5-dihydro-3H-benzo[e]benzimidazol-2-yl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(7-methoxy-4,5-dihydro-3H-benzo[e]benzimidazol-2-yl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(7-methoxy-4,5-dihydro-3H-benzo[e]benzimidazol-2-yl)methyl]-2-methylpropan-2-amine is COc1ccc2c(c1)CCc1[nH]c(CNC(C)(C)C)nc1-2.
What is the InChIKey of N-[(7-methoxy-4,5-dihydro-3H-benzo[e]benzimidazol-2-yl)methyl]-2-methylpropan-2-amine?
The InChIKey is XPEFGEUZPFVDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-17(2,3)18-10-15-19-14-8-5-11-9-12(21-4)6-7-13(11)16(14)20-15/h6-7,9,18H,5,8,10H2,1-4H3,(H,19,20).
What are the key properties of N-[(7-methoxy-4,5-dihydro-3H-benzo[e]benzimidazol-2-yl)methyl]-2-methylpropan-2-amine?
N-[(7-methoxy-4,5-dihydro-3H-benzo[e]benzimidazol-2-yl)methyl]-2-methylpropan-2-amine has a molecular weight of 285.39 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-methoxy-4,5-dihydro-3H-benzo[e]benzimidazol-2-yl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 63927825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).