[2-[(3-ethoxycyclobutyl)methyl]-3-methylbenzimidazol-5-yl]methanamine

C16H23N3O — CID 103167107

IUPAC[2-[(3-ethoxycyclobutyl)methyl]-3-methylbenzimidazol-5-yl]methanamine
SMILESCCOC1CC(Cc2nc3ccc(CN)cc3n2C)C1
InChIInChI=1S/C16H23N3O/c1-3-20-13-6-12(7-13)9-16-18-14-5-4-11(10-17)8-15(14)19(16)2/h4-5,8,12-13H,3,6-7,9-10,17H2,1-2H3
InChIKeyJWVIQPFMQZADSH-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.39
Rot. Bonds5

About [2-[(3-ethoxycyclobutyl)methyl]-3-methylbenzimidazol-5-yl]methanamine

[2-[(3-ethoxycyclobutyl)methyl]-3-methylbenzimidazol-5-yl]methanamine (PubChem CID 103167107) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is [2-[(3-ethoxycyclobutyl)methyl]-3-methylbenzimidazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-[(3-ethoxycyclobutyl)methyl]-3-methylbenzimidazol-5-yl]methanamine
PubChem CID103167107
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name[2-[(3-ethoxycyclobutyl)methyl]-3-methylbenzimidazol-5-yl]methanamine
SMILESCCOC1CC(Cc2nc3ccc(CN)cc3n2C)C1
InChIInChI=1S/C16H23N3O/c1-3-20-13-6-12(7-13)9-16-18-14-5-4-11(10-17)8-15(14)19(16)2/h4-5,8,12-13H,3,6-7,9-10,17H2,1-2H3
InChIKeyJWVIQPFMQZADSH-UHFFFAOYSA-N
XLogP2.39
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[(3-ethoxycyclobutyl)methyl]-3-methylbenzimidazol-5-yl]methanamine 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

[2-(cyclobutylmethyl)-3-methylbenzimidazol-5-yl]methanamine
CID 103167106
[6-(aminomethyl)-1-methylbenzimidazol-2-yl]methanol
CID 104713063
1-(3-ethoxycyclobutyl)-3-(1-methylbenzimidazol-2-yl)propan-2-one
CID 103167962
[2-(3,3-dimethylbutyl)-3-methylbenzimidazol-5-yl]methanamine
CID 114212936
[2-[(4-chlorophenyl)methyl]-3-methylbenzimidazol-5-yl]methanamine
CID 104713141
6-(aminomethyl)-1-methylbenzimidazol-2-amine
CID 84767207
[3-methyl-2-(2-pyridin-4-ylethyl)benzimidazol-5-yl]methanamine
CID 104712932
[3-methyl-2-(2,2,2-trifluoroethoxymethyl)benzimidazol-5-yl]methanamine
CID 103213116
[2-[(3-bromophenyl)methyl]-3-methylbenzimidazol-5-yl]methanamine
CID 104713039
[5-[(3-ethoxycyclobutyl)methyl]-4-methyl-1,2,4-triazol-3-yl]methanol
CID 103167576
6-ethyl-1-methyl-2-(pyrrolidin-2-ylmethyl)benzimidazole
CID 84630966
2-(cyclopropylmethyl)-3-methylbenzimidazole-5-carbonitrile
CID 104712508

Frequently Asked Questions

What is the IUPAC name of [2-[(3-ethoxycyclobutyl)methyl]-3-methylbenzimidazol-5-yl]methanamine?
The IUPAC name of [2-[(3-ethoxycyclobutyl)methyl]-3-methylbenzimidazol-5-yl]methanamine (CID 103167107) is [2-[(3-ethoxycyclobutyl)methyl]-3-methylbenzimidazol-5-yl]methanamine.
What is the SMILES notation for [2-[(3-ethoxycyclobutyl)methyl]-3-methylbenzimidazol-5-yl]methanamine?
The canonical SMILES for [2-[(3-ethoxycyclobutyl)methyl]-3-methylbenzimidazol-5-yl]methanamine is CCOC1CC(Cc2nc3ccc(CN)cc3n2C)C1.
What is the InChIKey of [2-[(3-ethoxycyclobutyl)methyl]-3-methylbenzimidazol-5-yl]methanamine?
The InChIKey is JWVIQPFMQZADSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-3-20-13-6-12(7-13)9-16-18-14-5-4-11(10-17)8-15(14)19(16)2/h4-5,8,12-13H,3,6-7,9-10,17H2,1-2H3.
What are the key properties of [2-[(3-ethoxycyclobutyl)methyl]-3-methylbenzimidazol-5-yl]methanamine?
[2-[(3-ethoxycyclobutyl)methyl]-3-methylbenzimidazol-5-yl]methanamine has a molecular weight of 273.38 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-ethoxycyclobutyl)methyl]-3-methylbenzimidazol-5-yl]methanamine is sourced from PubChem (CID 103167107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).