N-(3-methoxycyclobutyl)-2-methyl-3H-benzimidazol-5-amine

C13H17N3O — CID 104872058

IUPACN-(3-methoxycyclobutyl)-2-methyl-3H-benzimidazol-5-amine
SMILESCOC1CC(Nc2ccc3nc(C)[nH]c3c2)C1
InChIInChI=1S/C13H17N3O/c1-8-14-12-4-3-9(7-13(12)15-8)16-10-5-11(6-10)17-2/h3-4,7,10-11,16H,5-6H2,1-2H3,(H,14,15)
InChIKeyOAPZIQNIBRTZPW-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.46
Rot. Bonds3

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

N-(3-methoxycyclobutyl)-2-methyl-3H-benzimidazol-5-amine (PubChem CID 104872058) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is N-(3-methoxycyclobutyl)-2-methyl-3H-benzimidazol-5-amine.

Molecular Properties

Compound NameN-(3-methoxycyclobutyl)-2-methyl-3H-benzimidazol-5-amine
PubChem CID104872058
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC NameN-(3-methoxycyclobutyl)-2-methyl-3H-benzimidazol-5-amine
SMILESCOC1CC(Nc2ccc3nc(C)[nH]c3c2)C1
InChIInChI=1S/C13H17N3O/c1-8-14-12-4-3-9(7-13(12)15-8)16-10-5-11(6-10)17-2/h3-4,7,10-11,16H,5-6H2,1-2H3,(H,14,15)
InChIKeyOAPZIQNIBRTZPW-UHFFFAOYSA-N
XLogP2.46
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(azepan-4-yl)-2-methyl-3H-benzimidazol-5-amine
CID 113361498
N-(3,3-dimethylcyclopentyl)-2-methyl-3H-benzimidazol-5-amine
CID 80706215
2-methyl-N-(4-propan-2-ylcycloheptyl)-3H-benzimidazol-5-amine
CID 65091300
2-methyl-N-(oxepan-4-yl)-3H-benzimidazol-5-amine
CID 65082102
N-(2-bicyclo[2.2.1]heptanyl)-2-methyl-3H-benzimidazol-5-amine
CID 61308992
N-(5,5-dimethylthian-3-yl)-2-methyl-3H-benzimidazol-5-amine
CID 79959114
tert-butyl 4-[(2-methyl-3H-benzimidazol-5-yl)amino]piperidine-1-carboxylate
CID 113223911
1-methyl-2-(2-methyl-3H-benzimidazol-5-yl)hydrazine
CID 170206143
N-(2,2-dimethylcyclopentyl)-2-methyl-3H-benzimidazol-5-amine
CID 79860507
4-fluoro-N-(3-methoxycyclobutyl)-3-methylaniline
CID 104870459
tert-butyl 3-[(2-methyl-3H-benzimidazol-5-yl)amino]pyrrolidine-1-carboxylate
CID 103818698
N-(3-methoxybutan-2-yl)-2-methyl-3H-benzimidazol-5-amine
CID 115929031

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxycyclobutyl)-2-methyl-3H-benzimidazol-5-amine?
The IUPAC name of N-(3-methoxycyclobutyl)-2-methyl-3H-benzimidazol-5-amine (CID 104872058) is N-(3-methoxycyclobutyl)-2-methyl-3H-benzimidazol-5-amine.
What is the SMILES notation for N-(3-methoxycyclobutyl)-2-methyl-3H-benzimidazol-5-amine?
The canonical SMILES for N-(3-methoxycyclobutyl)-2-methyl-3H-benzimidazol-5-amine is COC1CC(Nc2ccc3nc(C)[nH]c3c2)C1.
What is the InChIKey of N-(3-methoxycyclobutyl)-2-methyl-3H-benzimidazol-5-amine?
The InChIKey is OAPZIQNIBRTZPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-8-14-12-4-3-9(7-13(12)15-8)16-10-5-11(6-10)17-2/h3-4,7,10-11,16H,5-6H2,1-2H3,(H,14,15).
What are the key properties of N-(3-methoxycyclobutyl)-2-methyl-3H-benzimidazol-5-amine?
N-(3-methoxycyclobutyl)-2-methyl-3H-benzimidazol-5-amine has a molecular weight of 231.30 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxycyclobutyl)-2-methyl-3H-benzimidazol-5-amine is sourced from PubChem (CID 104872058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).