N-[(5,6-dimethoxy-1H-benzimidazol-2-yl)methyl]propan-2-amine

C13H19N3O2 — CID 55150957

IUPACN-[(5,6-dimethoxy-1H-benzimidazol-2-yl)methyl]propan-2-amine
SMILESCOc1cc2nc(CNC(C)C)[nH]c2cc1OC
InChIInChI=1S/C13H19N3O2/c1-8(2)14-7-13-15-9-5-11(17-3)12(18-4)6-10(9)16-13/h5-6,8,14H,7H2,1-4H3,(H,15,16)
InChIKeyWYCSABIDAREMTN-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.08
Rot. Bonds5

About N-[(5,6-dimethoxy-1H-benzimidazol-2-yl)methyl]propan-2-amine

N-[(5,6-dimethoxy-1H-benzimidazol-2-yl)methyl]propan-2-amine (PubChem CID 55150957) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[(5,6-dimethoxy-1H-benzimidazol-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(5,6-dimethoxy-1H-benzimidazol-2-yl)methyl]propan-2-amine
PubChem CID55150957
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-[(5,6-dimethoxy-1H-benzimidazol-2-yl)methyl]propan-2-amine
SMILESCOc1cc2nc(CNC(C)C)[nH]c2cc1OC
InChIInChI=1S/C13H19N3O2/c1-8(2)14-7-13-15-9-5-11(17-3)12(18-4)6-10(9)16-13/h5-6,8,14H,7H2,1-4H3,(H,15,16)
InChIKeyWYCSABIDAREMTN-UHFFFAOYSA-N
XLogP2.08
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(chloromethyl)-5,6-dimethoxy-1H-benzimidazole;hydrochloride
CID 75481538
N-[(5,6-dimethoxy-1H-benzimidazol-2-yl)methyl]pyridin-4-amine
CID 14456519
2-[2-(5,6-dimethoxy-1H-benzimidazol-2-yl)ethylamino]ethanol
CID 82336811
N-[(5-bromo-6-fluoro-1H-benzimidazol-2-yl)methyl]propan-2-amine
CID 79630921
N-[(6-bromo-1H-benzimidazol-2-yl)methyl]propan-2-amine
CID 60837050
2-(5,6-dimethoxy-1H-benzimidazol-2-yl)acetic acid
CID 61366087
1-[(5,6-dimethoxy-1H-benzimidazol-2-yl)methyl]cyclohexan-1-amine
CID 64671048
2-benzyl-5,6-dimethoxy-1H-benzimidazole
CID 39158335
N-(1H-benzimidazol-2-ylmethyl)propan-2-amine;dihydrochloride
CID 56773634
(1S)-1-(5,6-dimethoxy-1H-benzimidazol-2-yl)ethanol
CID 66264286
5,6-dimethoxy-2-[2-(4-methylphenyl)ethyl]-1H-benzimidazole
CID 39158365
5,6-dimethoxy-2-(thiophen-2-ylmethyl)-1H-benzimidazole
CID 39158334

Frequently Asked Questions

What is the IUPAC name of N-[(5,6-dimethoxy-1H-benzimidazol-2-yl)methyl]propan-2-amine?
The IUPAC name of N-[(5,6-dimethoxy-1H-benzimidazol-2-yl)methyl]propan-2-amine (CID 55150957) is N-[(5,6-dimethoxy-1H-benzimidazol-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(5,6-dimethoxy-1H-benzimidazol-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(5,6-dimethoxy-1H-benzimidazol-2-yl)methyl]propan-2-amine is COc1cc2nc(CNC(C)C)[nH]c2cc1OC.
What is the InChIKey of N-[(5,6-dimethoxy-1H-benzimidazol-2-yl)methyl]propan-2-amine?
The InChIKey is WYCSABIDAREMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-8(2)14-7-13-15-9-5-11(17-3)12(18-4)6-10(9)16-13/h5-6,8,14H,7H2,1-4H3,(H,15,16).
What are the key properties of N-[(5,6-dimethoxy-1H-benzimidazol-2-yl)methyl]propan-2-amine?
N-[(5,6-dimethoxy-1H-benzimidazol-2-yl)methyl]propan-2-amine has a molecular weight of 249.31 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,6-dimethoxy-1H-benzimidazol-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 55150957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).