N-(3-methoxybutan-2-yl)-2-methyl-3H-benzimidazol-5-amine

C13H19N3O — CID 115929031

IUPACN-(3-methoxybutan-2-yl)-2-methyl-3H-benzimidazol-5-amine
SMILESCOC(C)C(C)Nc1ccc2nc(C)[nH]c2c1
InChIInChI=1S/C13H19N3O/c1-8(9(2)17-4)14-11-5-6-12-13(7-11)16-10(3)15-12/h5-9,14H,1-4H3,(H,15,16)
InChIKeyNJNANDPYBMUUCC-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.71
Rot. Bonds4

About N-(3-methoxybutan-2-yl)-2-methyl-3H-benzimidazol-5-amine

N-(3-methoxybutan-2-yl)-2-methyl-3H-benzimidazol-5-amine (PubChem CID 115929031) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is N-(3-methoxybutan-2-yl)-2-methyl-3H-benzimidazol-5-amine.

Molecular Properties

Compound NameN-(3-methoxybutan-2-yl)-2-methyl-3H-benzimidazol-5-amine
PubChem CID115929031
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC NameN-(3-methoxybutan-2-yl)-2-methyl-3H-benzimidazol-5-amine
SMILESCOC(C)C(C)Nc1ccc2nc(C)[nH]c2c1
InChIInChI=1S/C13H19N3O/c1-8(9(2)17-4)14-11-5-6-12-13(7-11)16-10(3)15-12/h5-9,14H,1-4H3,(H,15,16)
InChIKeyNJNANDPYBMUUCC-UHFFFAOYSA-N
XLogP2.71
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(1-methylsulfonylpropan-2-yl)-3H-benzimidazol-5-amine
CID 64630141
1-methoxy-N-methyl-1-(2-methyl-3H-benzimidazol-5-yl)methanamine
CID 116961533
1-methyl-2-(2-methyl-3H-benzimidazol-5-yl)hydrazine
CID 170206143
N-hex-5-en-2-yl-2-methyl-3H-benzimidazol-5-amine
CID 104584102
N-[1-(2-fluorophenyl)ethyl]-2-methyl-3H-benzimidazol-5-amine
CID 43746480
2-methyl-N-[1-(3-methylthiophen-2-yl)ethyl]-3H-benzimidazol-5-amine
CID 63991681
N-[1-(3-chloro-4-fluorophenyl)ethyl]-2-methyl-3H-benzimidazol-5-amine
CID 43746343
N-(3-methoxycyclobutyl)-2-methyl-3H-benzimidazol-5-amine
CID 104872058
4-N-(2-methyl-3H-benzimidazol-5-yl)benzene-1,4-diamine
CID 12730721
2-methyl-6-propan-2-yl-1H-benzimidazole
CID 21069154
2-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)-3H-benzimidazol-5-amine
CID 79540408
3-chloro-2-methyl-N-(2-methyl-3H-benzimidazol-5-yl)propane-1-sulfonamide
CID 79586209

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxybutan-2-yl)-2-methyl-3H-benzimidazol-5-amine?
The IUPAC name of N-(3-methoxybutan-2-yl)-2-methyl-3H-benzimidazol-5-amine (CID 115929031) is N-(3-methoxybutan-2-yl)-2-methyl-3H-benzimidazol-5-amine.
What is the SMILES notation for N-(3-methoxybutan-2-yl)-2-methyl-3H-benzimidazol-5-amine?
The canonical SMILES for N-(3-methoxybutan-2-yl)-2-methyl-3H-benzimidazol-5-amine is COC(C)C(C)Nc1ccc2nc(C)[nH]c2c1.
What is the InChIKey of N-(3-methoxybutan-2-yl)-2-methyl-3H-benzimidazol-5-amine?
The InChIKey is NJNANDPYBMUUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-8(9(2)17-4)14-11-5-6-12-13(7-11)16-10(3)15-12/h5-9,14H,1-4H3,(H,15,16).
What are the key properties of N-(3-methoxybutan-2-yl)-2-methyl-3H-benzimidazol-5-amine?
N-(3-methoxybutan-2-yl)-2-methyl-3H-benzimidazol-5-amine has a molecular weight of 233.31 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxybutan-2-yl)-2-methyl-3H-benzimidazol-5-amine is sourced from PubChem (CID 115929031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).