2-(5,6-dimethoxy-1H-benzimidazol-2-yl)-N-methylpropan-2-amine

C13H19N3O2 — CID 55124065

IUPAC2-(5,6-dimethoxy-1H-benzimidazol-2-yl)-N-methylpropan-2-amine
SMILESCNC(C)(C)c1nc2cc(OC)c(OC)cc2[nH]1
InChIInChI=1S/C13H19N3O2/c1-13(2,14-3)12-15-8-6-10(17-4)11(18-5)7-9(8)16-12/h6-7,14H,1-5H3,(H,15,16)
InChIKeySLQXSEHZUZWQHP-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.03
Rot. Bonds4

About 2-(5,6-dimethoxy-1H-benzimidazol-2-yl)-N-methylpropan-2-amine

2-(5,6-dimethoxy-1H-benzimidazol-2-yl)-N-methylpropan-2-amine (PubChem CID 55124065) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(5,6-dimethoxy-1H-benzimidazol-2-yl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name2-(5,6-dimethoxy-1H-benzimidazol-2-yl)-N-methylpropan-2-amine
PubChem CID55124065
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-(5,6-dimethoxy-1H-benzimidazol-2-yl)-N-methylpropan-2-amine
SMILESCNC(C)(C)c1nc2cc(OC)c(OC)cc2[nH]1
InChIInChI=1S/C13H19N3O2/c1-13(2,14-3)12-15-8-6-10(17-4)11(18-5)7-9(8)16-12/h6-7,14H,1-5H3,(H,15,16)
InChIKeySLQXSEHZUZWQHP-UHFFFAOYSA-N
XLogP2.03
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-5,6-dimethoxy-1H-benzimidazole
CID 39158314
2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-N-methylpropan-2-amine
CID 65484228
5,6-dimethoxy-2-pyrazol-1-yl-1H-benzimidazole
CID 66937003
N-[(5,6-dimethoxy-1H-benzimidazol-2-yl)methyl]propan-2-amine
CID 55150957
(1S)-1-(5,6-dimethoxy-1H-benzimidazol-2-yl)ethanol
CID 66264286
5,6-difluoro-2-(2-methoxypropan-2-yl)-1H-benzimidazole
CID 103020900
2-(chloromethyl)-5,6-dimethoxy-1H-benzimidazole;hydrochloride
CID 75481538
2-benzyl-5,6-dimethoxy-1H-benzimidazole
CID 39158335
N-[(5,6-dimethoxy-1H-benzimidazol-2-yl)methyl]pyridin-4-amine
CID 14456519
N-methyl-2-(2,4,5-trimethoxyphenyl)propan-2-amine
CID 96840579
2-[4-(5,6-dimethoxy-1H-benzimidazol-2-yl)phenyl]-5,6-dimethyl-1H-benzimidazole
CID 153404282
3-(5,6-dimethoxy-1H-benzimidazol-2-yl)butan-2-amine
CID 113416030

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethoxy-1H-benzimidazol-2-yl)-N-methylpropan-2-amine?
The IUPAC name of 2-(5,6-dimethoxy-1H-benzimidazol-2-yl)-N-methylpropan-2-amine (CID 55124065) is 2-(5,6-dimethoxy-1H-benzimidazol-2-yl)-N-methylpropan-2-amine.
What is the SMILES notation for 2-(5,6-dimethoxy-1H-benzimidazol-2-yl)-N-methylpropan-2-amine?
The canonical SMILES for 2-(5,6-dimethoxy-1H-benzimidazol-2-yl)-N-methylpropan-2-amine is CNC(C)(C)c1nc2cc(OC)c(OC)cc2[nH]1.
What is the InChIKey of 2-(5,6-dimethoxy-1H-benzimidazol-2-yl)-N-methylpropan-2-amine?
The InChIKey is SLQXSEHZUZWQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-13(2,14-3)12-15-8-6-10(17-4)11(18-5)7-9(8)16-12/h6-7,14H,1-5H3,(H,15,16).
What are the key properties of 2-(5,6-dimethoxy-1H-benzimidazol-2-yl)-N-methylpropan-2-amine?
2-(5,6-dimethoxy-1H-benzimidazol-2-yl)-N-methylpropan-2-amine has a molecular weight of 249.31 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethoxy-1H-benzimidazol-2-yl)-N-methylpropan-2-amine is sourced from PubChem (CID 55124065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).