N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-1H-benzimidazol-2-amine

C15H21N3O — CID 133410943

IUPACN-[[1-(2-methoxyethyl)cyclobutyl]methyl]-1H-benzimidazol-2-amine
SMILESCOCCC1(CNc2nc3ccccc3[nH]2)CCC1
InChIInChI=1S/C15H21N3O/c1-19-10-9-15(7-4-8-15)11-16-14-17-12-5-2-3-6-13(12)18-14/h2-3,5-6H,4,7-11H2,1H3,(H2,16,17,18)
InChIKeyMTKNCNCNTCBCIO-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.18
Rot. Bonds6

About N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-1H-benzimidazol-2-amine

N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-1H-benzimidazol-2-amine (PubChem CID 133410943) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)cyclobutyl]methyl]-1H-benzimidazol-2-amine
PubChem CID133410943
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-[[1-(2-methoxyethyl)cyclobutyl]methyl]-1H-benzimidazol-2-amine
SMILESCOCCC1(CNc2nc3ccccc3[nH]2)CCC1
InChIInChI=1S/C15H21N3O/c1-19-10-9-15(7-4-8-15)11-16-14-17-12-5-2-3-6-13(12)18-14/h2-3,5-6H,4,7-11H2,1H3,(H2,16,17,18)
InChIKeyMTKNCNCNTCBCIO-UHFFFAOYSA-N
XLogP3.18
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-3H-benzimidazole-5-carboxylate
CID 154770873
N-(2-methoxyethyl)-1H-benzimidazol-2-amine
CID 16653132
N-[(1-methylsulfanylcyclobutyl)methyl]-1H-benzimidazol-2-amine
CID 107268802
N-(4-methoxy-2,2-dimethylbutyl)-1H-benzimidazol-2-amine
CID 104624011
ethane;N-propyl-1H-benzimidazol-2-amine
CID 145154327
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-benzimidazol-2-amine
CID 133410029
N-(2-methoxy-2-methylpropyl)-1H-benzimidazol-2-amine
CID 115865687
N-pentyl-1H-benzimidazol-2-amine;hydrochloride
CID 174826614
N-[[2-(methoxymethyl)phenyl]methyl]-1H-benzimidazol-2-amine
CID 60923540
N-(cyclohexylmethyl)-1H-benzimidazol-2-amine
CID 18685672
N-[2-(3,5-dimethoxyphenoxy)ethyl]-1H-benzimidazol-2-amine
CID 133410971
N-(2-bromoethyl)-1H-benzimidazol-2-amine
CID 119092998

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-1H-benzimidazol-2-amine?
The IUPAC name of N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-1H-benzimidazol-2-amine (CID 133410943) is N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-1H-benzimidazol-2-amine?
The canonical SMILES for N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-1H-benzimidazol-2-amine is COCCC1(CNc2nc3ccccc3[nH]2)CCC1.
What is the InChIKey of N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-1H-benzimidazol-2-amine?
The InChIKey is MTKNCNCNTCBCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-19-10-9-15(7-4-8-15)11-16-14-17-12-5-2-3-6-13(12)18-14/h2-3,5-6H,4,7-11H2,1H3,(H2,16,17,18).
What are the key properties of N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-1H-benzimidazol-2-amine?
N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-1H-benzimidazol-2-amine has a molecular weight of 259.35 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 133410943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).