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

C18H19N3O — CID 133410366

IUPACN-[(2-cyclobutyloxyphenyl)methyl]-1H-benzimidazol-2-amine
SMILESc1ccc(OC2CCC2)c(CNc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C18H19N3O/c1-4-11-17(22-14-7-5-8-14)13(6-1)12-19-18-20-15-9-2-3-10-16(15)21-18/h1-4,6,9-11,14H,5,7-8,12H2,(H2,19,20,21)
InChIKeyGTBMKHBRDTUWRC-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.11
Rot. Bonds5

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

N-[(2-cyclobutyloxyphenyl)methyl]-1H-benzimidazol-2-amine (PubChem CID 133410366) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[(2-cyclobutyloxyphenyl)methyl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[(2-cyclobutyloxyphenyl)methyl]-1H-benzimidazol-2-amine
PubChem CID133410366
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC NameN-[(2-cyclobutyloxyphenyl)methyl]-1H-benzimidazol-2-amine
SMILESc1ccc(OC2CCC2)c(CNc2nc3ccccc3[nH]2)c1
InChIInChI=1S/C18H19N3O/c1-4-11-17(22-14-7-5-8-14)13(6-1)12-19-18-20-15-9-2-3-10-16(15)21-18/h1-4,6,9-11,14H,5,7-8,12H2,(H2,19,20,21)
InChIKeyGTBMKHBRDTUWRC-UHFFFAOYSA-N
XLogP4.11
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2-cyclobutyloxyphenyl)methyl]-1H-benzimidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-methyl-2-(oxolan-3-yloxy)phenyl]methyl]-1H-benzimidazol-2-amine
CID 133410920
N-[[2-(difluoromethyl)phenyl]methyl]-1H-benzimidazol-2-amine
CID 154703945
N-[[2-(methoxymethyl)phenyl]methyl]-1H-benzimidazol-2-amine
CID 60923540
N-(cyclohexylmethyl)-1H-benzimidazol-2-amine
CID 18685672
N-[(2,5-difluorophenyl)methyl]-1H-benzimidazol-2-amine
CID 63795518
N-[(2-cyclopentyloxyphenyl)methyl]aniline
CID 39366714
N-[[2-(propoxymethyl)phenyl]methyl]-1H-benzimidazol-2-amine
CID 133409737
N-(piperidin-2-ylmethyl)-1H-benzimidazol-2-amine;hydrochloride
CID 71636788
N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-1H-benzimidazol-2-amine
CID 133410892
N-[[6-(difluoromethoxy)-1,3-benzodioxol-5-yl]methyl]-1H-benzimidazol-2-amine
CID 133410891
N-[(2-morpholin-4-ylphenyl)methyl]-1H-benzimidazol-2-amine
CID 133409906
N-[(2-cyclopentyloxyphenyl)methyl]-2-methylaniline
CID 39381668

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclobutyloxyphenyl)methyl]-1H-benzimidazol-2-amine?
The IUPAC name of N-[(2-cyclobutyloxyphenyl)methyl]-1H-benzimidazol-2-amine (CID 133410366) is N-[(2-cyclobutyloxyphenyl)methyl]-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[(2-cyclobutyloxyphenyl)methyl]-1H-benzimidazol-2-amine?
The canonical SMILES for N-[(2-cyclobutyloxyphenyl)methyl]-1H-benzimidazol-2-amine is c1ccc(OC2CCC2)c(CNc2nc3ccccc3[nH]2)c1.
What is the InChIKey of N-[(2-cyclobutyloxyphenyl)methyl]-1H-benzimidazol-2-amine?
The InChIKey is GTBMKHBRDTUWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-4-11-17(22-14-7-5-8-14)13(6-1)12-19-18-20-15-9-2-3-10-16(15)21-18/h1-4,6,9-11,14H,5,7-8,12H2,(H2,19,20,21).
What are the key properties of N-[(2-cyclobutyloxyphenyl)methyl]-1H-benzimidazol-2-amine?
N-[(2-cyclobutyloxyphenyl)methyl]-1H-benzimidazol-2-amine has a molecular weight of 293.37 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclobutyloxyphenyl)methyl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 133410366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).